Reaction Details Report a problem with these data
Target
Steryl-sulfatase
Ligand
BDBM50134325
Substrate
n/a
Meas. Tech.
ChEMBL_203060 (CHEMBL811564)
Ki
1850±n/a nM
Citation
Nussbaumer, P; Geyl, D; Horvath, A; Lehr, P; Wolff, B; Billich, A Nortropinyl-arylsulfonylureas as novel, reversible inhibitors of human steroid sulfatase. Bioorg Med Chem Lett 13:3673-7 (2003) [PubMed] Article
More Info.:
Target
Name:
Steryl-sulfatase
Synonyms:
ARSC1 | ASC | Arylsulfatase C | STS | STS_HUMAN | Steroid sulfatase | Steryl-sulfate sulfohydrolase
Type:
Enzyme
Mol. Mass.:
65503.66
Organism:
Human
Description:
P08842
Residue:
583
Sequence:
MPLRKMKIPFLLLFFLWEAESHAASRPNIILVMADDLGIGDPGCYGNKTIRTPNIDRLASGGVKLTQHLAASPLCTPSRAAFMTGRYPVRSGMASWSRTGVFLFTASSGGLPTDEITFAKLLKDQGYSTALIGKWHLGMSCHSKTDFCHHPLHHGFNYFYGISLTNLRDCKPGEGSVFTTGFKRLVFLPLQIVGVTLLTLAALNCLGLLHVPLGVFFSLLFLAALILTLFLGFLHYFRPLNCFMMRNYEIIQQPMSYDNLTQRLTVEAAQFIQRNTETPFLLVLSYLHVHTALFSSKDFAGKSQHGVYGDAVEEMDWSVGQILNLLDELRLANDTLIYFTSDQGAHVEEVSSKGEIHGGSNGIYKGGKANNWEGGIRVPGILRWPRVIQAGQKIDEPTSNMDIFPTVAKLAGAPLPEDRIIDGRDLMPLLEGKSQRSDHEFLFHYCNAYLNAVRWHPQNSTSIWKAFFFTPNFNPVGSNGCFATHVCFCFGSYVTHHDPPLLFDISKDPRERNPLTPASEPRFYEILKVMQEAADRHTQTLPEVPDQFSWNNFLWKPWLQLCCPSTGLSCQCDREKQDKRLSR
Inhibitor
Name:
BDBM50134325
Synonyms:
CHEMBL440159 | Phenyl-acetic acid (1R,3R,5S)-8-(4-bromo-benzenesulfonylaminocarbonyl)-8-aza-bicyclo[3.2.1]oct-3-yl ester
Type:
Small organic molecule
Emp. Form.:
C22H23BrN2O5S
Mol. Mass.:
507.397
SMILES:
Brc1ccc(cc1)S(=O)(=O)NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1 |THB:11:13:20.18.19:15.16|