Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member C2
Ligand
BDBM26269
Substrate
BDBM26271
Meas. Tech.
Assay of Enzyme Activity
pH
7.4000±n/a
Temperature
298.1500±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:
Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase | 3-alpha-Hydroxysteroid Dehydrogenase Type 3 (AKR1C2) | Chlordecone reductase homolog HAKRD | Aldo-keto reductase family 1 member C2 (AK1C2) | 3-alpha-HSD3 | Dihydrodiol dehydrogenase 2 | Type III 3-alpha-hydroxysteroid dehydrogenase | Aldo-keto reductase family 1 member C2 (AK1C2a) | DD-2 | DD/BABP | Dihydrodiol dehydrogenase/bile acid-binding protein | Aldo-keto reductase family 1 member C2 (AKR1C2) | AK1C2_HUMAN | AKR1C2 | DDH2
Type:
Enzyme
Mol. Mass.:
36739.89
Organism:
Human
Description:
n/a
Residue:
323
Sequence:
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEAVKLAIEAGFHHIDSAHVYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAMEKCKDAGLAKSIGVSNFNHRLLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDEY
  
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:
Search PDB for entries with ligand similarity:
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:
Search PDB for entries with ligand similarity: