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Target
Aldo-keto reductase family 1 member C3
Ligand
BDBM50380363
Substrate
n/a
Meas. Tech.
ChEMBL_2014951 (CHEMBL4668529)
Ki
14000±n/a nM
Citation
 Liu, Y; He, S; Chen, Y; Liu, Y; Feng, F; Liu, W; Guo, Q; Zhao, L; Sun, H Overview of AKR1C3: Inhibitor Achievements and Disease Insights. J Med Chem 63:11305-11329 (2020) [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:
BDBM50380363
Synonyms:
CHEMBL2017974 | US10173995, Compound 1
Type:
Small organic molecule
Emp. Form.:
C18H21F3N6O2
Mol. Mass.:
410.3935
SMILES:
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Structure:
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