Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAldo-keto reductase family 1 member C3
LigandBDBM313850
Substrate/Competitorn/a
Meas. Tech.AKR1C3-Inhibitory Activity Assay
IC50 1.10±n/a nM
Citation Koppitz, MSiebeneicher, HSteuber, HTer Laak, ANubbemeyer, RRottmann, AIrlbacher, HBader, BPeters, MWagenfeld, ATerebesi, I [8-(phenylsulfonyl)-3,8-diazabicyclo[3.2.1]oct-3-yl](1H-1,2,3-triazol-4-yl)methanones US Patent US10167293 Publication Date 1/1/2019
More Info.:Get all data from this article,  Assay Method
 
Aldo-keto reductase family 1 member C3
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:
MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPM
SLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLD
RNLHYFNSDSFASHPNYPYSDEY
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM313850
n/a
NameBDBM313850
Synonyms:US10167293, Example 42
TypeSmall organic molecule
Emp. Form.C16H16F3N5O4S
Mol. Mass.431.39
SMILESFC(F)(F)Oc1ccccc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: