Reaction Details Report a problem with these data
Target
Steryl-sulfatase
Ligand
BDBM50078543
Substrate
n/a
Meas. Tech.
ChEBML_67983
IC50
56±n/a nM
Citation
 Ahmed, S; James, K; Owen, CP; Patel, CK; Patel, MB Determination and use of a transition state for the enzyme estrone sulfatase (ES) from a proposed reaction mechanism. Bioorg Med Chem Lett 11:3001-5 (2001) [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:
BDBM50078543
Synonyms:
CHEMBL44459 | Sulfamic acid 4-(2-tetradecanoylamino-ethyl)-phenyl ester
Type:
Small organic molecule
Emp. Form.:
C22H38N2O4S
Mol. Mass.:
426.613
SMILES:
CCCCCCCCCCCCCC(=O)NCCc1ccc(OS(N)(=O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: