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Target
Steryl-sulfatase
Ligand
BDBM50151140
Substrate
n/a
Meas. Tech.
ChEMBL_302762 (CHEMBL838826)
Ki
3200±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:
BDBM50151140
Synonyms:
2-Adamantan-1-yl-6-(2-hydroxy-acetyl)-chromen-4-one | CHEMBL188128
Type:
Small organic molecule
Emp. Form.:
C21H22O4
Mol. Mass.:
338.397
SMILES:
OCC(=O)c1ccc2oc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:22:21:24:16.17.18,22:17:24:23.21.20,18:19:23:16.17.22,THB:18:17:23:24.19.20|
Structure:
Search PDB for entries with ligand similarity: