Reaction Details Report a problem with these data
Target
Steryl-sulfatase
Ligand
BDBM50266402
Substrate
n/a
Meas. Tech.
ChEMBL_2324330
IC50
16±n/a nM
Citation
 Salah, M; Tahoun, M; Rudzitis-Auth, J; Stotz, L; van Koppen, CJ; Laschke, MW; Abdelsamie, AS; Frotscher, M Potent Dual Inhibitors of Steroid Sulfatase and 17β-Hydroxysteroid Dehydrogenase Type 1 with a Suitable Pharmacokinetic Profile for  J Med Chem 66:8975-8992 (2023) [PubMed] 
Target
Name:
Steryl-sulfatase
Synonyms:
ASC | Arylsulfatase C | Steroid sulfatase | Steryl-sulfate sulfohydrolase | STS_HUMAN | STS | ARSC1
Type:
Enzyme
Mol. Mass.:
65503.66
Organism:
Human
Description:
P08842
Residue:
583
Sequence:
MPLRKMKIPFLLLFFLWEAESHAASRPNIILVMADDLGIGDPGCYGNKTIRTPNIDRLASGGVKLTQHLAASPLCTPSRAAFMTGRYPVRSGMASWSRTGVFLFTASSGGLPTDEITFAKLLKDQGYSTALIGKWHLGMSCHSKTDFCHHPLHHGFNYFYGISLTNLRDCKPGEGSVFTTGFKRLVFLPLQIVGVTLLTLAALNCLGLLHVPLGVFFSLLFLAALILTLFLGFLHYFRPLNCFMMRNYEIIQQPMSYDNLTQRLTVEAAQFIQRNTETPFLLVLSYLHVHTALFSSKDFAGKSQHGVYGDAVEEMDWSVGQILNLLDELRLANDTLIYFTSDQGAHVEEVSSKGEIHGGSNGIYKGGKANNWEGGIRVPGILRWPRVIQAGQKIDEPTSNMDIFPTVAKLAGAPLPEDRIIDGRDLMPLLEGKSQRSDHEFLFHYCNAYLNAVRWHPQNSTSIWKAFFFTPNFNPVGSNGCFATHVCFCFGSYVTHHDPPLLFDISKDPRERNPLTPASEPRFYEILKVMQEAADRHTQTLPEVPDQFSWNNFLWKPWLQLCCPSTGLSCQCDREKQDKRLSR
  
Inhibitor
Name:
BDBM50266402
Synonyms:
CHEMBL4071245
Type:
Small organic molecule
Emp. Form.:
C17H10ClF2NO5S2
Mol. Mass.:
445.85
SMILES:
NS(=O)(=O)Oc1ccc(cc1Cl)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F
Structure:
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