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

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

Author information

1
Medicinal Chemistry, Department of Pharmacy and Pharmacology and Sterix Ltd, University of Bath, Bath BA2 7AY, UK.

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.

PMID:
12617909
DOI:
10.1016/s0960-894x(03)00009-x
[Indexed for MEDLINE]

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