Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member C3
Ligand
BDBM17638
Substrate
BDBM17637
Meas. Tech.
3alpha-Androstanediol Oxidation Inhibition Assay
pH
7±n/a
Temperature
303.15±n/a K
Ki
270±10 nM
Km
32000±2000 nM
Comments
Competitive inhibition.
Citation
 Lovering, AL; Ride, JP; Bunce, CM; Desmond, JC; Cummings, SM; White, SA Crystal structures of prostaglandin D(2) 11-ketoreductase (AKR1C3) in complex with the nonsteroidal anti-inflammatory drugs flufenamic acid and indomethacin. Cancer Res 64:1802-10 (2004) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member C3
Synonyms:
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) | 3-alpha-HSD type 2 | AK1C3_HUMAN | AKR1C3 | Aldo-keto reductase family 1 member C3 | Aldo-keto reductase family 1 member C3 (AK1C3) | Aldo-keto reductase family 1 member C3 (AK1C3a) | Aldo-keto reductase family 1 member C3 (AKR1C3) | Aldo-keto-reductase family 1 member C3 | DDH1 | Dihydrodiol dehydrogenase 3 | Dihydrodiol dehydrogenase type I | Estradiol 17-beta-dehydrogenase | HSD17B5 | KIAA0119 | PGFS | Prostaglandin F synthase | Testosterone 17-beta-dehydrogenase 5 | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase
Type:
Enzyme
Mol. Mass.:
36859.86
Organism:
Homo sapiens (Human)
Description:
P42330
Residue:
323
Sequence:
MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPMSLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLDRNLHYFNSDSFASHPNYPYSDEY
  
Inhibitor
Name:
BDBM17638
Synonyms:
2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid | CHEMBL6 | Indocin | Indomethacin | US11478464, Compound Indomethacin | US11786535, Compound Indomethacin | US9271961, Indomethacin | indometacin
Type:
Small organic molecule
Emp. Form.:
C19H16ClNO4
Mol. Mass.:
357.788
SMILES:
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM17637
Synonyms:
(2S,5R,7S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,14-diol | 3alpha-Androstanediol
Type:
Steroid
Emp. Form.:
C19H32O2
Mol. Mass.:
292.4562
SMILES:
[H][C@@]1(O)CC[C@]2(C)C3CC[C@]4(C)[C@@H](O)CCC4C3CC[C@@]2([H])C1 |r|
Structure:
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