Reaction Details Report a problem with these data
Target
Steryl-sulfatase
Ligand
BDBM13058
Substrate
n/a
Meas. Tech.
ChEMBL_2268548
IC50
8.0±n/a nM
Citation
 Li, X; Li, X; Liu, F; Li, S; Shi, D Rational Multitargeted Drug Design Strategy from the Perspective of a Medicinal Chemist. J Med Chem 64:10581-10605 (2021) [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:
BDBM13058
Synonyms:
6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-yl sulfamate | CMT | CHEMBL286738 | STX64 | {9-oxo-8-oxatricyclo[8.5.0.0^{2,7}]pentadeca-1(10),2(7),3,5-tetraen-5-yl} sulfamate | 667COUMATE | BN83495 | 667-COUMATE
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: