Docking studies of sulphamate inhibitors of estrone sulphatase in human carbonic anhydrase II.

Article Details

Citation

Copy to clipboard

Vicker N, Ho Y, Robinson J, Woo LL, Purohit A, Reed MJ, Potter BV

Docking studies of sulphamate inhibitors of estrone sulphatase in human carbonic anhydrase II.

Bioorg Med Chem Lett. 2003 Mar 10;13(5):863-5.

PubMed ID

12617909 [ View in PubMed

]

Abstract

We describe the docking of selected steroidal and non-steroidal estrone sulphatase inhibitors, including the Phase I clinical trial candidate 667COUMATE (6), into the active site of human carbonic anhydrase II (hCA II). The docking scores are compared with the inhibition of hCA II and show good correlation with biological activity.

DrugBank Data that Cites this Article

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
Acetazolamide	Carbonic anhydrase 2	IC 50 (nM)	13.7	N/A	N/A	Details
Irosustat	Carbonic anhydrase 2	IC 50 (nM)	17	N/A	N/A	Details
Sulfamic Acid 2,3-O-(1-Methylethylidene)-4,5-O-Sulfonyl-Beta-Fructopyranose Ester	Carbonic anhydrase 2	IC 50 (nM)	36	N/A	N/A	Details