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Target
Aldo-keto reductase family 1 member C3
Ligand
BDBM26269
Substrate
BDBM26271
Meas. Tech.
Assay of Enzyme Activity
pH
7.4000±n/a
Temperature
298.1500±n/a K
Ki
94000±1300 nM
Citation
 Dhagat, U; Endo, S; Sumii, R; Hara, A; El-Kabbani, O Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid. J Med Chem 51:4844-8 (2008) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member C3
Synonyms:
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase | Dihydrodiol dehydrogenase type I | Estradiol 17-beta-dehydrogenase | Testosterone 17-beta-dehydrogenase 5 | Aldo-keto reductase family 1 member C3 | Aldo-keto reductase family 1 member C3 (AKR1C3) | Aldo-keto reductase family 1 member C3 (AK1C3) | Dihydrodiol dehydrogenase 3 | 3-alpha-HSD type 2 | Prostaglandin F synthase | Aldo-keto reductase family 1 member C3 (AK1C3a) | AK1C3_HUMAN | AKR1C3 | DDH1 | HSD17B5 | KIAA0119 | PGFS | Aldo-keto-reductase family 1 member C3 | 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
Type:
Enzyme
Mol. Mass.:
36859.86
Organism:
Human
Description:
P42330
Residue:
323
Sequence:
MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPMSLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLDRNLHYFNSDSFASHPNYPYSDEY
  
Inhibitor
Name:
BDBM26269
Synonyms:
3,5-dichloro-2-hydroxybenzoic acid | CHEMBL449129 | 3,5-dichlorosalicylic acid
Type:
Small organic molecule
Emp. Form.:
C7H4Cl2O3
Mol. Mass.:
205.95
SMILES:
c1c(cc(c(c1C(=O)O)O)Cl)Cl
Structure:
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Substrate
Name:
BDBM26271
Synonyms:
S-tetralol | (1S)-1,2,3,4-tetrahydronaphthalen-1-ol | CHEMBL206199 | S-(+)-1,2,3,4-tetrahydro-1-naphthol
Type:
Small organic molecule
Emp. Form.:
C10H12O
Mol. Mass.:
148.09
SMILES:
O[C@H]1CCCc2ccccc12
Structure:
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