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Target
Steryl-sulfatase
Ligand
BDBM50151136
Substrate
n/a
Meas. Tech.
ChEMBL_302762 (CHEMBL838826)
Ki
>50000±n/a nM
Citation
 Horvath, A; Nussbaumer, P; Wolff, B; Billich, A 2-(1-adamantyl)-4-(thio)chromenone-6-carboxylic acids: potent reversible inhibitors of human steroid sulfatase. J Med Chem 47:4268-76 (2004) [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:
BDBM50151136
Synonyms:
2-Adamantan-1-yl-4-oxo-4H-thiochromene-6-carbonitrile | CHEMBL361700
Type:
Small organic molecule
Emp. Form.:
C20H19NOS
Mol. Mass.:
321.436
SMILES:
O=c1cc(sc2ccc(cc12)C#N)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:21:14.15.20,THB:16:15:21:22.17.18,18:19:14:22.17.16,18:17:14:21.19.20|
Structure:
Search PDB for entries with ligand similarity: