Target
Aldo-keto reductase family 1 member C4
Ligand
BDBM50396711
Substrate
n/a
Meas. Tech.
ChEMBL_864143 (CHEMBL2174991)
IC50
>30000±n/a nM
Citation
 Jamieson, SMBrooke, DGHeinrich, DAtwell, GJSilva, SHamilton, EJTurnbull, APRigoreau, LJTrivier, ESoudy, CSamlal, SSOwen, PJSchroeder, ERaynham, TFlanagan, JUDenny, WA 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic Acids: highly potent and selective inhibitors of the type 5 17-ß-hydroxysteroid dehydrogenase AKR1C3. J Med Chem 55:7746-58 (2012) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member C4
Synonyms:
3-alpha-HSD1 | 3-alpha-Hydroxysteroid Dehydrogenase Type 1 (AKR1C4) | 3-alpha-hydroxysteroid dehydrogenase type I | AK1C4_HUMAN | AKR1C4 | Aldo-keto reductase family 1 member C4 | Aldo-keto reductase family 1 member C4 (AK1C4) | CDR | CHDR | Chlordecone reductase | DD-4 | DD4 | Dihydrodiol dehydrogenase 4 | HAKRA
Type:
Enzyme
Mol. Mass.:
37068.40
Organism:
Homo sapiens (Human)
Description:
P17516
Residue:
323
Sequence:
MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY
  
Inhibitor
Name:
BDBM50396711
Synonyms:
CHEMBL2172099
Type:
Small organic molecule
Emp. Form.:
C21H19NO5S
Mol. Mass.:
397.444
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)NCCc1cccc(Oc2ccccc2)c1
Structure:
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