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Target
Steryl-sulfatase
Ligand
BDBM13058
Substrate
n/a
Meas. Tech.
ChEMBL_1574256 (CHEMBL3802439)
IC50
421±n/a nM
Citation
 El-Gamal, MI; Semreen, MH; Foster, PA; Potter, BV Design, synthesis, and biological evaluation of new arylamide derivatives possessing sulfonate or sulfamate moieties as steroid sulfatase enzyme inhibitors. Bioorg Med Chem 24:2762-7 (2016) [PubMed]  Article 
Target
Name:
Steryl-sulfatase
Synonyms:
ARSC1 | ASC | Arylsulfatase C | STS | STS_HUMAN | Steroid sulfatase | Steryl-sulfate sulfohydrolase
Type:
Enzyme
Mol. Mass.:
65503.66
Organism:
Homo sapiens (Human)
Description:
P08842
Residue:
583
Sequence:
MPLRKMKIPFLLLFFLWEAESHAASRPNIILVMADDLGIGDPGCYGNKTIRTPNIDRLASGGVKLTQHLAASPLCTPSRAAFMTGRYPVRSGMASWSRTGVFLFTASSGGLPTDEITFAKLLKDQGYSTALIGKWHLGMSCHSKTDFCHHPLHHGFNYFYGISLTNLRDCKPGEGSVFTTGFKRLVFLPLQIVGVTLLTLAALNCLGLLHVPLGVFFSLLFLAALILTLFLGFLHYFRPLNCFMMRNYEIIQQPMSYDNLTQRLTVEAAQFIQRNTETPFLLVLSYLHVHTALFSSKDFAGKSQHGVYGDAVEEMDWSVGQILNLLDELRLANDTLIYFTSDQGAHVEEVSSKGEIHGGSNGIYKGGKANNWEGGIRVPGILRWPRVIQAGQKIDEPTSNMDIFPTVAKLAGAPLPEDRIIDGRDLMPLLEGKSQRSDHEFLFHYCNAYLNAVRWHPQNSTSIWKAFFFTPNFNPVGSNGCFATHVCFCFGSYVTHHDPPLLFDISKDPRERNPLTPASEPRFYEILKVMQEAADRHTQTLPEVPDQFSWNNFLWKPWLQLCCPSTGLSCQCDREKQDKRLSR
  
Inhibitor
Name:
BDBM13058
Synonyms:
6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-yl sulfamate | 667-COUMATE | 667COUMATE | BN83495 | CHEMBL286738 | CMT | STX64 | {9-oxo-8-oxatricyclo[8.5.0.0^{2,7}]pentadeca-1(10),2(7),3,5-tetraen-5-yl} sulfamate
Type:
Small organic molecule
Emp. Form.:
C14H15NO5S
Mol. Mass.:
309.338
SMILES:
NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1
Structure:
Search PDB for entries with ligand similarity: