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Target
Steryl-sulfatase
Ligand
BDBM10019
Substrate
BDBM10022
IC50
20±n/a nM
Citation
 Woo, LW; Bubert, C; Sutcliffe, OB; Smith, A; Chander, SK; Mahon, MF; Purohit, A; Reed, MJ; Potter, BV Dual aromatase-steroid sulfatase inhibitors. J Med Chem 50:3540-60 (2007) [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:
BDBM10019
Synonyms:
(2-chloro-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino]methyl}phenyl) sulfamate | JMC503540 Compound 4 | YM511-based dual aromatase-sulfatase inhibitor (DASI) 6 | dual aromatase-sulfatase inhibitor 6
Type:
Small organic molecule
Emp. Form.:
C16H13ClN6O3S
Mol. Mass.:
404.831
SMILES:
NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM10022
Synonyms:
13-methyl-17-oxo-3-sulfooxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene | Estrone 3-sulfate | [3H]Estrone 3-sulfate | [3H]estrone sulfate | [6,7-3H] E1S | {15-methyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-5-yl}oxidanesulfonic acid
Type:
Small organic molecule
Emp. Form.:
C18H22O5S
Mol. Mass.:
350.429
SMILES:
CC12CCC3C(CCc4cc(OS(O)(=O)=O)ccc34)C1CCC2=O
Structure:
Search PDB for entries with ligand similarity: