Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSteryl-sulfatase
LigandBDBM50168245
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1577225 (CHEMBL3807716)
IC50 30±n/a nM
Citation Shah, RSingh, JSingh, DJaggi, ASSingh, N Sulfatase inhibitors for recidivist breast cancer treatment: A chemical review. Eur J Med Chem114:170-90 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Steryl-sulfatase
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:
MPLRKMKIPFLLLFFLWEAESHAASRPNIILVMADDLGIGDPGCYGNKTIRTPNIDRLAS
GGVKLTQHLAASPLCTPSRAAFMTGRYPVRSGMASWSRTGVFLFTASSGGLPTDEITFAK
LLKDQGYSTALIGKWHLGMSCHSKTDFCHHPLHHGFNYFYGISLTNLRDCKPGEGSVFTT
GFKRLVFLPLQIVGVTLLTLAALNCLGLLHVPLGVFFSLLFLAALILTLFLGFLHYFRPL
NCFMMRNYEIIQQPMSYDNLTQRLTVEAAQFIQRNTETPFLLVLSYLHVHTALFSSKDFA
GKSQHGVYGDAVEEMDWSVGQILNLLDELRLANDTLIYFTSDQGAHVEEVSSKGEIHGGS
NGIYKGGKANNWEGGIRVPGILRWPRVIQAGQKIDEPTSNMDIFPTVAKLAGAPLPEDRI
IDGRDLMPLLEGKSQRSDHEFLFHYCNAYLNAVRWHPQNSTSIWKAFFFTPNFNPVGSNG
CFATHVCFCFGSYVTHHDPPLLFDISKDPRERNPLTPASEPRFYEILKVMQEAADRHTQT
LPEVPDQFSWNNFLWKPWLQLCCPSTGLSCQCDREKQDKRLSR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50168245
n/a
NameBDBM50168245
Synonyms:CHEMBL3806272
TypeSmall organic molecule
Emp. Form.C26H33NO5S
Mol. Mass.471.609
SMILES[H][C@@]12CC[C@@](O)(Cc3ccc(OC)cc3)[C@@]1(C)CC[C@]1([H])c3ccc(OS(N)(=O)=O)cc3CC[C@@]21[H] |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: