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Target
Aldo-keto reductase family 1 member C4
Ligand
BDBM26269
Substrate
BDBM26271
Meas. Tech.
Assay of Enzyme Activity
pH
7.4000±n/a
Temperature
298.1500±n/a K
Ki
24000±2100 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 C4
Synonyms:
CDR | Chlordecone reductase | HAKRA | Aldo-keto reductase family 1 member C4 | DD4 | 3-alpha-HSD1 | Dihydrodiol dehydrogenase 4 | DD-4 | 3-alpha-hydroxysteroid dehydrogenase type I | 3-alpha-Hydroxysteroid Dehydrogenase Type 1 (AKR1C4) | AK1C4_HUMAN | AKR1C4 | CHDR | Aldo-keto reductase family 1 member C4 (AK1C4)
Type:
Enzyme
Mol. Mass.:
37068.40
Organism:
Human
Description:
P17516
Residue:
323
Sequence:
MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY
  
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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