Unleashing AI in Drug Discovery: Prospects and Challenges
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Substrate
Enzyme
Products
Clear
Segesterone acetate
DB14583
Not Available
17α-deacetylsegesterone acetate
Details
Segesterone acetate
DB14583
Not Available
4, 5-dihydro-17α-deacetylsegesterone acetate
Details
Selegiline
DB01037
Cytochrome P450 2B6
/
Cytochrome P450 2C19
/
Cytochrome P450 2D6
/
Cytochrome P450 1A2
/
Cytochrome P450 2C9
/
Cytochrome P450 3A4
Levmetamfetamine
Details
Selegiline
DB01037
Cytochrome P450 2B6
/
Cytochrome P450 2C19
/
Cytochrome P450 2D6
/
Cytochrome P450 1A2
/
Cytochrome P450 2C9
/
Cytochrome P450 3A4
Desmethylselegiline
Details
Selenious acid
DB11127
Thioredoxin reductase 1, cytoplasmic
Hydrogen Selenide
Details
Selenious acid
DB11127
Not Available
Selenodiglutathione
Details
Selenocysteine
DBMET01459
Selenocysteine lyase
Methyl-selenol
Details
Selenocysteine
DBMET01459
Not Available
Se-methylselenocysteine selenoxide
Details
Selenodiglutathione
DBMET01468
Glutathione reductase, mitochondrial
Hydrogen Selenide
Details
Selexipag
DB11362
Liver carboxylesterase 1
ACT-333679
Details
Selumetinib
DB11689
Not Available
M4 (glucuronidated selumetinib)
Details
Selumetinib
DB11689
Cytochrome P450 2C19
/
Cytochrome P450 2C9
/
Cytochrome P450 2C8
/
Cytochrome P450 1A2
/
Cytochrome P450 2A6
M8 (N-desmethyl selumetinib)
Details
Selumetinib
DB11689
Not Available
M7 (glucuronidated selumetinib)
Details
Selumetinib
DB11689
Not Available
M15 (AZ13326637)
Details
Selumetinib
DB11689
Not Available
M14 (AZ12791138)
Details
Semaglutide
DB13928
Dipeptidyl peptidase 4
/
Neprilysin
P3 semaglutide
Details
Semaglutide
DB13928
Dipeptidyl peptidase 4
/
Neprilysin
U7 semaglutide
Details
Sennidin A
DBMET01449
Beta-glucosidase
Rheinanthrone
Details
Sennosides
DB11365
Not Available
Sennidin A
Details
Seratrodast
DB06739
Prostaglandin G/H synthase 1
Dihydroseratrodast
Details
Seratrodast
DB06739
Cytochrome P450 2C19
/
Cytochrome P450 2C9
/
Cytochrome P450 2C8
/
Cytochrome P450 3A4
/
Cytochrome P450 2B6
5-OH-seratrodast
Details
Seratrodast
DB06739
Cytochrome P450 2C8
/
Cytochrome P450 2C19
/
Cytochrome P450 2C9
4-Hydroxyseratrodast
Details
Seratrodast
DB06739
Cytochrome P450 2C19
/
Cytochrome P450 2C9
/
Cytochrome P450 2C8
4'-OH-seratrodast
Details
Seratrodast
DB06739
Cytochrome P450 2C9
/
Cytochrome P450 3A4
/
Cytochrome P450 2C8
/
Cytochrome P450 2C19
/
Cytochrome P450 2B6
5-Methylhydroxyseratrodast
Details
Seratrodast
DB06739
UDP-glucuronosyltransferase 1-9
Seratrodast acyl glucuronide
Details
Serdexmethylphenidate
DB16629
Not Available
Dexmethylphenidate
Details
Sertraline
DB01104
Cytochrome P450 3A4
/
Cytochrome P450 2D6
/
Cytochrome P450 2C9
/
Cytochrome P450 2C19
/
Cytochrome P450 2B6
norsertraline
Details
Sevoflurane
DB01236
Cytochrome P450 2E1
Carbon dioxide
/
Fluoride
/
Hexafluoroisopropanol
Details
Sildenafil
DB00203
Cytochrome P450 3A4
/
Cytochrome P450 2C19
/
Cytochrome P450 2D6
/
Cytochrome P450 2C9
N-Desmethyl sildenafil (UK-103,320)
Details
Sildenafil
DB00203
Cytochrome P450 3A4
/
Cytochrome P450 2C9
/
Cytochrome P450 2C19
/
Cytochrome P450 2D6
N-Desmethyl sildenafil
Details
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