Reaction Details Report a problem with these data
Target
Steryl-sulfatase
Ligand
BDBM50604008
Substrate
n/a
Meas. Tech.
ChEMBL_2246270 (CHEMBL5160480)
IC50
1.9±n/a nM
Citation
 Biernacki, K; Ciupak, O; Daśko, M; Rachon, J; Kozak, W; Rak, J; Kubiński, K; Masłyk, M; Martyna, A; Śliwka-Kaszyńska, M; Wietrzyk, J; Świtalska, M; Nocentini, A; Supuran, CT; Demkowicz, S Development of Sulfamoylated 4-(1-Phenyl-1 J Med Chem 65:5044-5056 (2022) [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:
BDBM50604008
Synonyms:
CHEMBL5179747
Type:
Small organic molecule
Emp. Form.:
C14H11ClN4O3S
Mol. Mass.:
350.79
SMILES:
NS(=O)(=O)Oc1ccc(cc1)-c1cn(nn1)-c1cccc(Cl)c1
Structure:
Search PDB for entries with ligand similarity: