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Target
Aldo-keto reductase family 1 member C3
Ligand
BDBM50509973
Substrate
n/a
Meas. Tech.
ChEMBL_1839845 (CHEMBL4340060)
IC50
940±n/a nM
Citation
 Lolli, ML; Carnovale, IM; Pippione, AC; Wahlgren, WY; Bonanni, D; Marini, E; Zonari, D; Gallicchio, M; Boscaro, V; Goyal, P; Friemann, R; Rolando, B; Bagnati, R; Adinolfi, S; Oliaro-Bosso, S; Boschi, D Bioisosteres of Indomethacin as Inhibitors of Aldo-Keto Reductase 1C3. ACS Med Chem Lett 10:437-443 (2019) [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:
BDBM50509973
Synonyms:
CHEMBL4590005
Type:
Small organic molecule
Emp. Form.:
C21H19ClN4O3
Mol. Mass.:
410.854
SMILES:
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(Cc3nn(C)nc3O)c2c1
Structure:
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