Reaction Details Report a problem with these data
Target
Steryl-sulfatase
Ligand
BDBM50151137
Substrate
n/a
Meas. Tech.
ChEMBL_1577322 (CHEMBL3808053)
Ki
500±n/a nM
Citation
 Shah, R; Singh, J; Singh, D; Jaggi, AS; Singh, N Sulfatase inhibitors for recidivist breast cancer treatment: A chemical review. Eur J Med Chem 114:170-90 (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:
BDBM50151137
Synonyms:
2-Adamantan-1-yl-4-oxo-4H-thiochromene-6-carboxylic acid | CHEMBL186816
Type:
Small organic molecule
Emp. Form.:
C20H20O3S
Mol. Mass.:
340.436
SMILES:
OC(=O)c1ccc2sc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:21:20:23:15.16.17,21:16:23:22.20.19,17:18:22:15.16.21,THB:17:16:22:23.18.19|
Structure:
Search PDB for entries with ligand similarity: