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Target
Steryl-sulfatase
Ligand
BDBM50112853
Substrate
n/a
Meas. Tech.
ChEBML_67985
IC50
6000±n/a nM
Citation
 Jütten, P; Schumann, W; Härtl, A; Heinisch, L; Gräfe, U; Werner, W; Ulbricht, H A novel type of nonsteroidal estrone sulfatase inhibitors. Bioorg Med Chem Lett 12:1339-42 (2002) [PubMed]
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:
BDBM50112853
Synonyms:
3-((Butylaminocarbonothioyl)hydrazono]methyl)-1,9,11,14-tetrahydroxy-7-methoxy-10-methyl-8,13-dioxo-5,6,8,13-tetrahydro-benzo[a]naphthacene-2-carboxylic acid | CHEMBL285331
Type:
Small organic molecule
Emp. Form.:
C31H29N3O9S
Mol. Mass.:
619.642
SMILES:
CCCCNC(=S)NN=Cc1cc2CCc3c(OC)c4C(=O)c5c(O)c(C)c(O)cc5C(=O)c4c(O)c3-c2c(O)c1C(O)=O |w:8.7|
Structure:
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