Target
Aldo-keto reductase family 1 member C3
Ligand
BDBM264498
Substrate
n/a
Meas. Tech.
AKR1C3-Inhibitory Action
pH
7±n/a
IC50
5.00±n/a nM
Comments
extracted
Citation
 Bothe, UBusemann, MBarak, NRotgeri, AFischer, OMMarquardt, T Estra-1,3,5(10),16-tetraene-3-carboxamides for inhibition of 17.beta.-hydroxysteroid dehydrogenase (AKR1C3) US Patent  US9714266 Publication Date 7/25/2017 
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:
BDBM264498
Synonyms:
17-(5-fluoropyridin-3-yl)-N-[3-(methylamino)-3-oxopropyl]oestra-1,3,5(10),16-tetraene-3-carboxamide | US9714266, 27
Type:
Small organic molecule
Emp. Form.:
C28H32FN3O2
Mol. Mass.:
461.571
SMILES:
CNC(=O)CCNC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20|
Structure:
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