Reaction Details Report a problem with these data
Target
Steryl-sulfatase
Ligand
BDBM50525470
Substrate
n/a
Meas. Tech.
ChEMBL_1897004 (CHEMBL4399039)
IC50
0.400000±n/a nM
Citation
 Zaraei, SO; Abduelkarem, AR; Anbar, HS; Kobeissi, S; Mohammad, M; Ossama, A; El-Gamal, MI Sulfamates in drug design and discovery: Pre-clinical and clinical investigations. Eur J Med Chem 179:257-271 (2019) [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:
BDBM50525470
Synonyms:
CHEMBL4456330
Type:
Small organic molecule
Emp. Form.:
C27H41NO4S
Mol. Mass.:
475.684
SMILES:
CCCCCCC(O)(CCCCc1ccc(OS(N)(=O)=O)cc1)c1ccc(cc1)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: