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Target
Aldo-keto reductase family 1 member C2
Ligand
BDBM26269
Substrate
BDBM26271
Meas. Tech.
Assay of Enzyme Activity
pH
7.4±n/a
Temperature
298.15±n/a K
Ki
70±2 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 C2
Synonyms:
3-alpha-HSD3 | 3-alpha-Hydroxysteroid Dehydrogenase Type 3 (AKR1C2) | AK1C2_HUMAN | AKR1C2 | Aldo-keto reductase family 1 member C2 (AK1C2) | Aldo-keto reductase family 1 member C2 (AK1C2a) | Aldo-keto reductase family 1 member C2 (AKR1C2) | Chlordecone reductase homolog HAKRD | DD-2 | DD/BABP | DDH2 | Dihydrodiol dehydrogenase 2 | Dihydrodiol dehydrogenase/bile acid-binding protein | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase | Type III 3-alpha-hydroxysteroid dehydrogenase
Type:
Enzyme
Mol. Mass.:
36739.89
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
323
Sequence:
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEAVKLAIEAGFHHIDSAHVYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAMEKCKDAGLAKSIGVSNFNHRLLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDEY
  
Inhibitor
Name:
BDBM26269
Synonyms:
3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichlorosalicylic acid | CHEMBL449129
Type:
Small organic molecule
Emp. Form.:
C7H4Cl2O3
Mol. Mass.:
207.011
SMILES:
OC(=O)c1cc(Cl)cc(Cl)c1O
Structure:
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Substrate
Name:
BDBM26271
Synonyms:
(1S)-1,2,3,4-tetrahydronaphthalen-1-ol | CHEMBL206199 | S-(+)-1,2,3,4-tetrahydro-1-naphthol | S-tetralol
Type:
Small organic molecule
Emp. Form.:
C10H12O
Mol. Mass.:
148.2017
SMILES:
O[C@H]1CCCc2ccccc12
Structure:
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