2-(N-morpholino)ethanesulfonic acid

Overview

DrugBank ID
DB03814
Type
Small Molecule
US Approved
NO
Other Approved
NO

Identification

Generic Name
2-(N-morpholino)ethanesulfonic acid
DrugBank Accession Number
DB03814
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 195.237
Monoisotopic: 195.056528599
Chemical Formula
C6H13NO4S
Synonyms
  • 2-(4-morpholinyl)ethanesulfonic acid
  • 2-(morpholin-4-yl)ethanesulfonic acid
  • 2-(N-morpholino)ethanesulfonic acid
  • 2-morpholinoethanesulphonic acid
  • 4-morpholineethanesulfonic acid
  • 4-morpholinethanesulfonic acid
  • MES
External IDs
  • NSC-157116

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
A11-beta-hydroxysteroid dehydrogenase 1
inhibitor
Humans
APeptide deformylase, mitochondrial
inhibitor
Humans
ABeta-lactamase
inhibitor
Staphylococcus aureus
AAcetylcholinesterase
inhibitor
Humans
AGlutamine--fructose-6-phosphate aminotransferase [isomerizing]
inhibitor
Escherichia coli (strain K12)
AChymase
inhibitor
Humans
ACholinesterase
inhibitor
Humans
UDihydrofolate reductaseNot AvailableYeast
UCopper-containing nitrite reductaseNot AvailableAchromobacter cycloclastes
UGlutathione S-transferase PNot AvailableHumans
UHydroxylamine reductaseNot AvailableDesulfovibrio desulfuricans (strain ATCC 27774 / DSM 6949)
UDiaminopimelate decarboxylaseNot AvailableEscherichia coli (strain K12)
UAlpha-xylosidaseNot AvailableEscherichia coli (strain K12)
ULimonene-1,2-epoxide hydrolaseNot AvailableRhodococcus erythropolis
UMannan endo-1,4-beta-mannosidaseNot AvailableCellvibrio japonicus (strain Ueda107)
UBeta-1,4-galactosyltransferase 1Not AvailableHumans
UTyrosine-protein kinase transforming protein AblNot AvailableAbelson murine leukemia virus
UBifunctional protein GlmUNot AvailableEscherichia coli (strain K12)
UThiol:disulfide interchange protein DsbCNot AvailableEscherichia coli (strain K12)
UGlyceraldehyde-3-phosphate dehydrogenase ANot AvailableEscherichia coli (strain K12)
U(S)-mandelate dehydrogenaseNot AvailablePseudomonas putida
UCopper-containing nitrite reductaseNot AvailableAlcaligenes xylosoxydans xylosoxydans
U33 kDa chaperoninNot AvailableEscherichia coli (strain K12)
UFree methionine-R-sulfoxide reductaseNot AvailableEscherichia coli (strain K12)
UOrnithine cyclodeaminaseNot AvailablePseudomonas putida (strain KT2440)
UDihydropteridine reductaseNot AvailableHumans
UArgininosuccinate lyaseNot AvailableHumans
UO-acetyl-ADP-ribose deacetylaseNot AvailableEscherichia coli (strain K12)
UADP-ribosylation factor-like protein 3Not AvailableHumans
UBeta-lactamaseNot AvailableProteus vulgaris
U3-deoxy-D-manno-octulosonate 8-phosphate phosphatase KdsCNot AvailableHaemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
ULethal(3)malignant brain tumor-like protein 1Not AvailableHumans
URibonuclease ZNot AvailableBacillus subtilis (strain 168)
UPeroxiredoxin-6Not AvailableHumans
UHypothetical gliding proteinNot AvailableThermus thermophilus
UProlyl endopeptidase PepNot AvailableMyxococcus xanthus
UPulmonary surfactant-associated protein A1Not AvailableHumans
UManganese catalaseNot AvailableLactobacillus plantarum
UChorismate mutase AroHNot AvailableThermus thermophilus
UBiflaviolin synthase CYP158A2Not AvailableStreptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145)
UInterferon-inducible GTPase 5Not AvailableHumans
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Oxazinanes
Sub Class
Morpholines
Direct Parent
Morpholines
Alternative Parents
Sulfonyls / Organosulfonic acids / Alkanesulfonic acids / Trialkylamines / Oxacyclic compounds / Dialkyl ethers / Azacyclic compounds / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Aliphatic heteromonocyclic compound / Alkanesulfonic acid / Amine / Azacycle / Dialkyl ether / Ether / Hydrocarbon derivative / Morpholine / Organic nitrogen compound / Organic oxide
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
organosulfonic acid, MES (CHEBI:39005)
Affected organisms
Not Available

Chemical Identifiers

UNII
2GNK67Q0C4
CAS number
4432-31-9
InChI Key
SXGZJKUKBWWHRA-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
IUPAC Name
4-(2-sulfonatoethyl)morpholin-4-ium
SMILES
OS(=O)(=O)CCN1CCOCC1

References

General References
Not Available
PubChem Compound
4478249
PubChem Substance
46507795
ChemSpider
70541
ChEBI
39005
ChEMBL
CHEMBL1234276
ZINC
ZINC000001583444
PDBe Ligand
MES
Wikipedia
MES_(buffer)
PDB Entries
10gs / 11gs / 12gs / 13gs / 14gs / 16gs / 17gs / 18gs / 19gs / 1a7t …
show 2026 more

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility61.1 mg/mLALOGPS
logP-1.8ALOGPS
logP-2.5Chemaxon
logS-0.5ALOGPS
pKa (Strongest Acidic)-1.5Chemaxon
pKa (Strongest Basic)6.51Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area70.87 Ã…2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity53.64 m3·mol-1Chemaxon
Polarizability18.67 Ã…3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption-0.5
Blood Brain Barrier+0.9
Caco-2 permeable-0.6087
P-glycoprotein substrateNon-substrate0.6448
P-glycoprotein inhibitor INon-inhibitor0.6976
P-glycoprotein inhibitor IINon-inhibitor0.9811
Renal organic cation transporterNon-inhibitor0.7887
CYP450 2C9 substrateNon-substrate0.8858
CYP450 2D6 substrateNon-substrate0.8017
CYP450 3A4 substrateNon-substrate0.6155
CYP450 1A2 substrateNon-inhibitor0.8233
CYP450 2C9 inhibitorNon-inhibitor0.8427
CYP450 2D6 inhibitorNon-inhibitor0.8844
CYP450 2C19 inhibitorNon-inhibitor0.8079
CYP450 3A4 inhibitorNon-inhibitor0.9623
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9671
Ames testAMES toxic0.5181
CarcinogenicityNon-carcinogens0.6105
BiodegradationReady biodegradable0.9587
Rat acute toxicity2.3838 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Strong inhibitor0.9425
hERG inhibition (predictor II)Non-inhibitor0.7564
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0nvl-9400000000-28f4e362c9075f85012c
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0900000000-1ffdeda4a861bcf136fb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0900000000-e61455327057089d45c7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udj-1900000000-c02b8fdbbd9a9db5b6ba
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-2900000000-0659ff0bc40b03c06617
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pk9-9300000000-0e17cac8fdf60c125c79
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-7b80b7e26cba1ff316af
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (â„«2)Source typeSource
[M-H]-142.0898702
predicted
DarkChem Lite v0.1.0
[M-H]-129.2279
predicted
DeepCCS 1.0 (2019)
[M+H]+141.9587702
predicted
DarkChem Lite v0.1.0
[M+H]+131.62547
predicted
DeepCCS 1.0 (2019)
[M+Na]+141.5814702
predicted
DarkChem Lite v0.1.0
[M+Na]+138.54225
predicted
DeepCCS 1.0 (2019)

Targets

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insights and accelerate drug research.
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Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
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Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Controls the reversible conversion of biologically active glucocorticoids such as cortisone to cortisol, and 11-dehydrocorticosterone to corticosterone in the presence of NADP(H) (PubMed:10497248, PubMed:12460758, PubMed:14973125, PubMed:15152005, PubMed:15280030, PubMed:17593962, PubMed:21453287, PubMed:27927697, PubMed:30902677). Participates in the corticosteroid receptor-mediated anti-inflammatory response, as well as metabolic and homeostatic processes (PubMed:10497248, PubMed:12414862, PubMed:15152005, PubMed:21453287). Plays a role in the secretion of aqueous humor in the eye, maintaining a normotensive, intraocular environment (PubMed:11481269). Bidirectional in vitro, predominantly functions as a reductase in vivo, thereby increasing the concentration of active glucocorticoids (PubMed:10497248, PubMed:11481269, PubMed:12414862, PubMed:12460758). It has broad substrate specificity, besides glucocorticoids, it accepts other steroid and sterol substrates (PubMed:15095019, PubMed:15152005, PubMed:17593962, PubMed:21453287). Interconverts 7-oxo- and 7-hydroxy-neurosteroids such as 7-oxopregnenolone and 7beta-hydroxypregnenolone, 7-oxodehydroepiandrosterone (3beta-hydroxy-5-androstene-7,17-dione) and 7beta-hydroxydehydroepiandrosterone (3beta,7beta-dihydroxyandrost-5-en-17-one), among others (PubMed:17593962). Catalyzes the stereo-specific conversion of the major dietary oxysterol, 7-ketocholesterol (7-oxocholesterol), into the more polar 7-beta-hydroxycholesterol metabolite (PubMed:15095019, PubMed:15152005). 7-oxocholesterol is one of the most important oxysterols, it participates in several events such as induction of apoptosis, accumulation in atherosclerotic lesions, lipid peroxidation, and induction of foam cell formation (PubMed:15095019). Mediates the 7-oxo reduction of 7-oxolithocholate mainly to chenodeoxycholate, and to a lesser extent to ursodeoxycholate, both in its free form and when conjugated to glycine or taurine, providing a link between glucocorticoid activation and bile acid metabolism (PubMed:21453287). Catalyzes the synthesis of 7-beta-25-dihydroxycholesterol from 7-oxo-25-hydroxycholesterol in vitro, which acts as a ligand for the G-protein-coupled receptor (GPCR) Epstein-Barr virus-induced gene 2 (EBI2) and may thereby regulate immune cell migration (PubMed:30902677)
Specific Function
11-beta-hydroxysteroid dehydrogenase (NADP+) activity
Gene Name
HSD11B1
Uniprot ID
P28845
Uniprot Name
11-beta-hydroxysteroid dehydrogenase 1
Molecular Weight
32400.665 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
  3. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Removes the formyl group from the N-terminal Met of newly synthesized proteins
Specific Function
metal ion binding
Gene Name
PDF
Uniprot ID
Q9HBH1
Uniprot Name
Peptide deformylase, mitochondrial
Molecular Weight
27013.25 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Staphylococcus aureus
Pharmacological action
Yes
Actions
Inhibitor
General Function
Not Available
Specific Function
beta-lactamase activity
Gene Name
blaZ
Uniprot ID
P00807
Uniprot Name
Beta-lactamase
Molecular Weight
31348.98 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Hydrolyzes rapidly the acetylcholine neurotransmitter released into the synaptic cleft allowing to terminate the signal transduction at the neuromuscular junction. Role in neuronal apoptosis
Specific Function
acetylcholine binding
Gene Name
ACHE
Uniprot ID
P22303
Uniprot Name
Acetylcholinesterase
Molecular Weight
67795.525 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
  4. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Yes
Actions
Inhibitor
General Function
Catalyzes the first step in hexosamine metabolism, converting fructose-6P into glucosamine-6P using glutamine as a nitrogen source.
Specific Function
carbohydrate derivative binding
Gene Name
glmS
Uniprot ID
P17169
Uniprot Name
Glutamine--fructose-6-phosphate aminotransferase [isomerizing]
Molecular Weight
66893.7 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
  3. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Major secreted protease of mast cells with suspected roles in vasoactive peptide generation, extracellular matrix degradation, and regulation of gland secretion
Specific Function
endopeptidase activity
Gene Name
CMA1
Uniprot ID
P23946
Uniprot Name
Chymase
Molecular Weight
27324.56 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
  3. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Esterase with broad substrate specificity. Contributes to the inactivation of the neurotransmitter acetylcholine. Can degrade neurotoxic organophosphate esters
Specific Function
acetylcholinesterase activity
Gene Name
BCHE
Uniprot ID
P06276
Uniprot Name
Cholinesterase
Molecular Weight
68417.575 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Kind
Protein
Organism
Yeast
Pharmacological action
Unknown
General Function
Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.
Specific Function
dihydrofolate reductase activity
Gene Name
DFR1
Uniprot ID
P22906
Uniprot Name
Dihydrofolate reductase
Molecular Weight
22138.295 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Kind
Protein
Organism
Achromobacter cycloclastes
Pharmacological action
Unknown
General Function
Not Available
Specific Function
copper ion binding
Gene Name
nirK
Uniprot ID
P25006
Uniprot Name
Copper-containing nitrite reductase
Molecular Weight
40771.115 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Involved in the formation of glutathione conjugates of both prostaglandin A2 (PGA2) and prostaglandin J2 (PGJ2) (PubMed:9084911). Participates in the formation of novel hepoxilin regioisomers (PubMed:21046276). Negatively regulates CDK5 activity via p25/p35 translocation to prevent neurodegeneration
Specific Function
dinitrosyl-iron complex binding
Gene Name
GSTP1
Uniprot ID
P09211
Uniprot Name
Glutathione S-transferase P
Molecular Weight
23355.625 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Kind
Protein
Organism
Desulfovibrio desulfuricans (strain ATCC 27774 / DSM 6949)
Pharmacological action
Unknown
General Function
Catalyzes the reduction of hydroxylamine to form NH(3) and H(2)O.
Specific Function
4 iron, 4 sulfur cluster binding
Gene Name
hcp
Uniprot ID
Q01770
Uniprot Name
Hydroxylamine reductase
Molecular Weight
58658.78 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Specifically catalyzes the decarboxylation of meso-diaminopimelate (meso-DAP) to L-lysine. Is not active against the DD- or LL-isomers of diaminopimelate.
Specific Function
diaminopimelate decarboxylase activity
Gene Name
lysA
Uniprot ID
P00861
Uniprot Name
Diaminopimelate decarboxylase
Molecular Weight
46176.975 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Can catalyze the transfer of alpha-xylosyl residue from alpha-xyloside to xylose, glucose, mannose, fructose, maltose, isomaltose, nigerose, kojibiose, sucrose and trehalose.
Specific Function
alpha-D-xyloside xylohydrolase
Gene Name
yicI
Uniprot ID
P31434
Uniprot Name
Alpha-xylosidase
Molecular Weight
88078.905 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Kind
Protein
Organism
Rhodococcus erythropolis
Pharmacological action
Unknown
General Function
Catalyzes the conversion of limonene-1,2-epoxide to limonene-1,2-diol. Can use both the (-) and (+) isomers of limonene-1,2-epoxide as substrates and also has some activity with 1-methylcyclohexene oxide, cyclohexene oxide and indene oxide as substrates.
Specific Function
limonene-1,2-epoxide hydrolase activity
Gene Name
limA
Uniprot ID
Q9ZAG3
Uniprot Name
Limonene-1,2-epoxide hydrolase
Molecular Weight
16520.47 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Kind
Protein
Organism
Cellvibrio japonicus (strain Ueda107)
Pharmacological action
Unknown
General Function
Catalyzes the endo hydrolysis of beta-1,4-linked mannan and galactomannan, but displays little activity towards other polysaccharides located in the plant cell wall (PubMed:11382747). Preferentially hydrolyzes the larger oligosaccharides and has greater activity against non-substituted polysaccharides (PubMed:7848261, PubMed:8973192). It displays tight specificity for mannose at both the -2 and the -1 subsites (PubMed:19441796). Appears to act in synergy with alpha-galactosidase (AgaA) to elicit hydrolysis of galactomannan (PubMed:11064195).
Specific Function
mannan endo-1,4-beta-mannosidase activity
Gene Name
manA
Uniprot ID
P49424
Uniprot Name
Mannan endo-1,4-beta-mannosidase
Molecular Weight
47486.99 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
The Golgi complex form catalyzes the production of lactose in the lactating mammary gland and could also be responsible for the synthesis of complex-type N-linked oligosaccharides in many glycoproteins as well as the carbohydrate moieties of glycolipids
Specific Function
alpha-tubulin binding
Gene Name
B4GALT1
Uniprot ID
P15291
Uniprot Name
Beta-1,4-galactosyltransferase 1
Molecular Weight
43919.895 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Abelson murine leukemia virus
Pharmacological action
Unknown
General Function
Not Available
Specific Function
ATP binding
Gene Name
ABL
Uniprot ID
P00521
Uniprot Name
Tyrosine-protein kinase transforming protein Abl
Molecular Weight
81871.395 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Catalyzes the last two sequential reactions in the de novo biosynthetic pathway for UDP-N-acetylglucosamine (UDP-GlcNAc). The C-terminal domain catalyzes the transfer of acetyl group from acetyl coenzyme A to glucosamine-1-phosphate (GlcN-1-P) to produce N-acetylglucosamine-1-phosphate (GlcNAc-1-P), which is converted into UDP-GlcNAc by the transfer of uridine 5-monophosphate (from uridine 5-triphosphate), a reaction catalyzed by the N-terminal domain.
Specific Function
glucosamine-1-phosphate N-acetyltransferase activity
Gene Name
glmU
Uniprot ID
P0ACC7
Uniprot Name
Bifunctional protein GlmU
Molecular Weight
49189.765 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Acts as a disulfide isomerase, interacting with incorrectly folded proteins to correct non-native disulfide bonds. DsbG and DsbC are part of a periplasmic reducing system that controls the level of cysteine sulfenylation, and provides reducing equivalents to rescue oxidatively damaged secreted proteins. Acts by transferring its disulfide bond to other proteins and is reduced in the process. DsbC is reoxidized by DsbD.
Specific Function
protein disulfide isomerase activity
Gene Name
dsbC
Uniprot ID
P0AEG6
Uniprot Name
Thiol:disulfide interchange protein DsbC
Molecular Weight
25621.495 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Catalyzes the oxidative phosphorylation of glyceraldehyde 3-phosphate (G3P) to 1,3-bisphosphoglycerate (BPG) using the cofactor NAD. The first reaction step involves the formation of a hemiacetal intermediate between G3P and a cysteine residue, and this hemiacetal intermediate is then oxidized to a thioester, with concomitant reduction of NAD to NADH. The reduced NADH is then exchanged with the second NAD, and the thioester is attacked by a nucleophilic inorganic phosphate to produce BPG.
Specific Function
glyceraldehyde-3-phosphate dehydrogenase (NAD+) (phosphorylating) activity
Gene Name
gapA
Uniprot ID
P0A9B2
Uniprot Name
Glyceraldehyde-3-phosphate dehydrogenase A
Molecular Weight
35532.24 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Kind
Protein
Organism
Pseudomonas putida
Pharmacological action
Unknown
General Function
Catalyzes the dehydrogenation of (S)-mandelate to phenylglyoxylate (benzoylformate) (PubMed:10493804, PubMed:19465768). Is likely involved in the utilization of mandelate as a sole source of carbon and energy for growth (Probable). Active in vitro with the artificial electron acceptors 2,6-dichlorophenolindophenol (DCPIP) or ferricyanide, but in vivo most likely transfer the electron pair from the reduced flavin to a component of the electron transport chain in the membrane, possibly a quinone (PubMed:10493804, PubMed:19465768). Shows very low activity with oxygen as the electron acceptor, and also with 3-indolelactate and medium chain 2-hydroxyacids as substrates (PubMed:10493804, PubMed:19465768).
Specific Function
(S)-mandelate dehydrogenase activity
Gene Name
mdlB
Uniprot ID
P20932
Uniprot Name
(S)-mandelate dehydrogenase
Molecular Weight
43436.53 Da
Kind
Protein
Organism
Alcaligenes xylosoxydans xylosoxydans
Pharmacological action
Unknown
General Function
Not Available
Specific Function
copper ion binding
Gene Name
nir
Uniprot ID
O68601
Uniprot Name
Copper-containing nitrite reductase
Molecular Weight
38939.295 Da
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Redox regulated molecular chaperone. Protects both thermally unfolding and oxidatively damaged proteins from irreversible aggregation. Plays an important role in the bacterial defense system toward oxidative stress.
Specific Function
identical protein binding
Gene Name
hslO
Uniprot ID
P0A6Y5
Uniprot Name
33 kDa chaperonin
Molecular Weight
32534.245 Da
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Catalyzes the reversible oxidation-reduction of the R-enantiomer of free methionine sulfoxide to methionine. Specific for free L-methionine-(R)-S-oxide.
Specific Function
L-methionine-(R)-S-oxide reductase activity
Gene Name
msrC
Uniprot ID
P76270
Uniprot Name
Free methionine-R-sulfoxide reductase
Molecular Weight
18121.45 Da
Kind
Protein
Organism
Pseudomonas putida (strain KT2440)
Pharmacological action
Unknown
General Function
Catalyzes the conversion of L-ornithine into L-proline with release of ammonia. Is likely involved in the L-ornithine degradation pathway that allows P.putida to utilize this compound as sole carbon and nitrogen source.
Specific Function
nucleotide binding
Gene Name
Not Available
Uniprot ID
Q88H32
Uniprot Name
Ornithine cyclodeaminase
Molecular Weight
38424.515 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Catalyzes the conversion of quinonoid dihydrobiopterin into tetrahydrobiopterin
Specific Function
6,7-dihydropteridine reductase activity
Gene Name
QDPR
Uniprot ID
P09417
Uniprot Name
Dihydropteridine reductase
Molecular Weight
25789.295 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Catalyzes the reversible cleavage of L-argininosuccinate to fumarate and L-arginine, an intermediate step reaction in the urea cycle mostly providing for hepatic nitrogen detoxification into excretable urea as well as de novo L-arginine synthesis in nonhepatic tissues (PubMed:11747432, PubMed:11747433, PubMed:22081021, PubMed:2263616, PubMed:9045711). Essential regulator of intracellular and extracellular L-arginine pools. As part of citrulline-nitric oxide cycle, forms tissue-specific multiprotein complexes with argininosuccinate synthase ASS1, transport protein SLC7A1 and nitric oxide synthase NOS1, NOS2 or NOS3, allowing for cell-autonomous L-arginine synthesis while channeling extracellular L-arginine to nitric oxide synthesis pathway (PubMed:22081021)
Specific Function
argininosuccinate lyase activity
Gene Name
ASL
Uniprot ID
P04424
Uniprot Name
Argininosuccinate lyase
Molecular Weight
51657.505 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Deacetylates O-acetyl-ADP ribose to yield ADP-ribose and free acetate (PubMed:21257746, PubMed:26481419). Down-regulates ribonuclease 3 (RNase III) activity. Acts by interacting directly with the region of the ribonuclease that is required for dimerization/activation (PubMed:19141481). Overexpression inhibits biofilm formation via an RNase III-independent pathway. This inhibition is RpoS-dependent (PubMed:24267348, PubMed:28582517). Overexpression also results in increased susceptibility to apramycin (PubMed:28034758, PubMed:28582517).
Specific Function
endoribonuclease inhibitor activity
Gene Name
ymdB
Uniprot ID
P0A8D6
Uniprot Name
O-acetyl-ADP-ribose deacetylase
Molecular Weight
18880.25 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Small GTP-binding protein which cycles between an inactive GDP-bound and an active GTP-bound form, and the rate of cycling is regulated by guanine nucleotide exchange factors (GEF) and GTPase-activating proteins (GAP) (PubMed:16525022, PubMed:18588884). Required for normal cytokinesis and cilia signaling (PubMed:22085962). Requires assistance from GTPase-activating proteins (GAPs) like RP2 and PDE6D, in order to cycle between inactive GDP-bound and active GTP-bound forms. Required for targeting proteins to the cilium, including myristoylated NPHP3 and prenylated INPP5E (PubMed:30269812). Targets NPHP3 to the ciliary membrane by releasing myristoylated NPHP3 from UNC119B cargo adapter into the cilium (PubMed:22085962). Required for PKD1:PKD2 complex targeting from the trans-Golgi network to the cilium (By similarity)
Specific Function
GDP binding
Gene Name
ARL3
Uniprot ID
P36405
Uniprot Name
ADP-ribosylation factor-like protein 3
Molecular Weight
20455.335 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Proteus vulgaris
Pharmacological action
Unknown
General Function
Hydrolyzes broad-spectrum beta-lactam antibiotics. Active against cephalosporins such as cefuroxime and cefotaxime.
Specific Function
beta-lactamase activity
Gene Name
blaB
Uniprot ID
P52664
Uniprot Name
Beta-lactamase
Molecular Weight
32991.385 Da
Kind
Protein
Organism
Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
Pharmacological action
Unknown
General Function
Catalyzes the hydrolysis of 3-deoxy-D-manno-octulosonate 8-phosphate (KDO 8-P) to 3-deoxy-D-manno-octulosonate (KDO) and inorganic phosphate.
Specific Function
3-deoxy-manno-octulosonate-8-phosphatase activity
Gene Name
Not Available
Uniprot ID
P45314
Uniprot Name
3-deoxy-D-manno-octulosonate 8-phosphate phosphatase KdsC
Molecular Weight
19432.135 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Polycomb group (PcG) protein that specifically recognizes and binds mono- and dimethyllysine residues on target proteins, therey acting as a 'reader' of a network of post-translational modifications. PcG proteins maintain the transcriptionally repressive state of genes: acts as a chromatin compaction factor by recognizing and binding mono- and dimethylated histone H1b/H1-4 at 'Lys-26' (H1bK26me1 and H1bK26me2) and histone H4 at 'Lys-20' (H4K20me1 and H4K20me2), leading to condense chromatin and repress transcription. Recognizes and binds p53/TP53 monomethylated at 'Lys-382', leading to repress p53/TP53-target genes. Also recognizes and binds RB1/RB monomethylated at 'Lys-860'. Participates in the ETV6-mediated repression. Probably plays a role in cell proliferation. Overexpression induces multinucleated cells, suggesting that it is required to accomplish normal mitosis
Specific Function
chromatin binding
Gene Name
L3MBTL1
Uniprot ID
Q9Y468
Uniprot Name
Lethal(3)malignant brain tumor-like protein 1
Molecular Weight
92296.365 Da
Kind
Protein
Organism
Bacillus subtilis (strain 168)
Pharmacological action
Unknown
General Function
Zinc phosphodiesterase, which displays some tRNA 3'-processing endonuclease activity. Probably involved in tRNA maturation, by removing a 3'-trailer from precursor tRNA.
Specific Function
3'-tRNA processing endoribonuclease activity
Gene Name
rnz
Uniprot ID
P54548
Uniprot Name
Ribonuclease Z
Molecular Weight
34022.58 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Thiol-specific peroxidase that catalyzes the reduction of hydrogen peroxide and organic hydroperoxides to water and alcohols, respectively (PubMed:10893423, PubMed:9497358). Can reduce H(2)O(2) and short chain organic, fatty acid, and phospholipid hydroperoxides (PubMed:10893423). Also has phospholipase activity, can therefore either reduce the oxidized sn-2 fatty acyl group of phospholipids (peroxidase activity) or hydrolyze the sn-2 ester bond of phospholipids (phospholipase activity) (PubMed:10893423, PubMed:26830860). These activities are dependent on binding to phospholipids at acidic pH and to oxidized phospholipds at cytosolic pH (PubMed:10893423). Plays a role in cell protection against oxidative stress by detoxifying peroxides and in phospholipid homeostasis (PubMed:10893423). Exhibits acyl-CoA-dependent lysophospholipid acyltransferase which mediates the conversion of lysophosphatidylcholine (1-acyl-sn-glycero-3-phosphocholine or LPC) into phosphatidylcholine (1,2-diacyl-sn-glycero-3-phosphocholine or PC) (PubMed:26830860). Shows a clear preference for LPC as the lysophospholipid and for palmitoyl CoA as the fatty acyl substrate (PubMed:26830860)
Specific Function
1-acylglycerophosphocholine O-acyltransferase activity
Gene Name
PRDX6
Uniprot ID
P30041
Uniprot Name
Peroxiredoxin-6
Molecular Weight
25034.715 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Thermus thermophilus
Pharmacological action
Unknown
General Function
Not Available
Specific Function
guanyl-nucleotide exchange factor activity
Gene Name
mglB
Uniprot ID
Q9X9L0
Uniprot Name
Hypothetical gliding protein
Molecular Weight
17774.16 Da
Kind
Protein
Organism
Myxococcus xanthus
Pharmacological action
Unknown
General Function
Not Available
Specific Function
oligopeptidase activity
Gene Name
pep
Uniprot ID
Q9X5N2
Uniprot Name
Prolyl endopeptidase Pep
Molecular Weight
76847.12 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
In presence of calcium ions, it binds to surfactant phospholipids and contributes to lower the surface tension at the air-liquid interface in the alveoli of the mammalian lung and is essential for normal respiration. Enhances the expression of MYO18A/SP-R210 on alveolar macrophages (By similarity)
Specific Function
carbohydrate binding
Gene Name
SFTPA1
Uniprot ID
Q8IWL2
Uniprot Name
Pulmonary surfactant-associated protein A1
Molecular Weight
26242.275 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Lactobacillus plantarum
Pharmacological action
Unknown
General Function
Catalyzes the decomposition of hydrogen peroxide into water and oxygen.
Specific Function
catalase activity
Gene Name
Not Available
Uniprot ID
P60355
Uniprot Name
Manganese catalase
Molecular Weight
29743.225 Da
Kind
Protein
Organism
Thermus thermophilus
Pharmacological action
Unknown
General Function
Catalyzes the Claisen rearrangement of chorismate to prephenate. Probably involved in the aromatic amino acid biosynthesis.
Specific Function
chorismate mutase activity
Gene Name
aroH
Uniprot ID
Q84FH6
Uniprot Name
Chorismate mutase AroH
Molecular Weight
13649.555 Da
Kind
Protein
Organism
Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145)
Pharmacological action
Unknown
General Function
Catalyzes oxidative C-C coupling reaction to polymerize flaviolin and form highly conjugated pigments which protect the soil bacterium from deleterious effects of UV irradiation (three isomers of biflaviolin and one triflaviolin).
Specific Function
heme binding
Gene Name
cyp158a2
Uniprot ID
Q9FCA6
Uniprot Name
Biflaviolin synthase CYP158A2
Molecular Weight
44354.085 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Required for sperm motility and therefore male fertility, via positive regulation of spermatozoa fibrous sheath formation
Specific Function
GTP binding
Gene Name
IRGC
Uniprot ID
Q6NXR0
Uniprot Name
Interferon-inducible GTPase 5
Molecular Weight
50287.62 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]

Drug created at June 13, 2005 13:24 / Updated at August 26, 2024 19:22