Reaction Details Report a problem with these data
Target
Steryl-sulfatase
Ligand
BDBM50590842
Substrate
n/a
Meas. Tech.
ChEMBL_2198168 (CHEMBL5110684)
IC50
0.065±n/a nM
Citation
 Khan, MZI; Uzair, M; Nazli, A; Chen, JZ An overview on Estrogen receptors signaling and its ligands in breast cancer. Eur J Med Chem 241:0 (2022) [PubMed] 
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:
BDBM50590842
Synonyms:
CHEMBL5202760
Type:
Small organic molecule
Emp. Form.:
C19H25NO4S
Mol. Mass.:
363.471
SMILES:
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1(C)c3ccc(OS(N)(=O)=O)cc3CC[C@@]21[H] |r|
Structure:
Search PDB for entries with ligand similarity: