Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member C1
Ligand
BDBM17638
Substrate
n/a
Meas. Tech.
ChEMBL_821629 (CHEMBL2038584)
IC50
130000±n/a nM
Citation
 Endo, S; Matsunaga, T; Kanamori, A; Otsuji, Y; Nagai, H; Sundaram, K; El-Kabbani, O; Toyooka, N; Ohta, S; Hara, A Selective inhibition of human type-5 17ß-hydroxysteroid dehydrogenase (AKR1C3) by baccharin, a component of Brazilian propolis. J Nat Prod 75:716-21 (2012) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member C1
Synonyms:
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase | 20-alpha-HSD | Aldo-keto reductase family 1 member C1 (AK1C1a) | Chlordecone reductase homolog HAKRC | Aldo-keto reductase family 1 member C1 (AKR1C1) | Aldo-keto reductase family 1 member C1 (AK1C1) | 20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) | High-affinity hepatic bile acid-binding protein | AK1C1_HUMAN | AKR1C1 | DDH | DDH1
Type:
Enzyme
Mol. Mass.:
36793.97
Organism:
Human
Description:
Recombinant AKR1C1 enzyme was expressed in E. coli.
Residue:
323
Sequence:
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDEY
  
Inhibitor
Name:
BDBM17638
Synonyms:
indometacin | Indocin | 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid | CHEMBL6 | Indomethacin | US9271961, Indomethacin | US11478464, Compound Indomethacin | US11786535, Compound Indomethacin
Type:
Small organic molecule
Emp. Form.:
C19H16ClNO4
Mol. Mass.:
357.08
SMILES:
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O
Structure:
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