Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member A1
Ligand
BDBM16452
Substrate
n/a
Meas. Tech.
ChEMBL_640041 (CHEMBL1174255)
IC50
2700±n/a nM
Citation
 Endo, S; Matsunaga, T; Kuwata, K; Zhao, HT; El-Kabbani, O; Kitade, Y; Hara, A Chromene-3-carboxamide derivatives discovered from virtual screening as potent inhibitors of the tumour maker, AKR1B10. Bioorg Med Chem 18:2485-90 (2010) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member A1
Synonyms:
AK1A1_HUMAN | AKR1A1 | ALDR1 | ALR | Alcohol dehydrogenase [NADP+] | Aldehyde Reductase (ALR1) | Aldehyde reductase | Aldo-keto reductase family 1 member A1
Type:
Enzyme
Mol. Mass.:
36574.11
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
325
Sequence:
MAASCVLLHTGQKMPLIGLGTWKSEPGQVKAAVKYALSVGYRHIDCAAIYGNEPEIGEALKEDVGPGKAVPREELFVTSKLWNTKHHPEDVEPALRKTLADLQLEYLDLYLMHWPYAFERGDNPFPKNADGTICYDSTHYKETWKALEALVAKGLVQALGLSNFNSRQIDDILSVASVRPAVLQVECHPYLAQNELIAHCQARGLEVTAYSPLGSSDRAWRDPDEPVLLEEPVVLALAEKYGRSPAQILLRWQVQRKVICIPKSITPSRILQNIKVFDFTFSPEEMKQLNALNKNWRYIVPMLTVDGKRVPRDAGHPLYPFNDPY
  
Inhibitor
Name:
BDBM16452
Synonyms:
(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid | 2-(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid | Alond | CHEMBL10372 | Xedia | Zopolrestat
Type:
Small organic molecule
Emp. Form.:
C19H12F3N3O3S
Mol. Mass.:
419.377
SMILES:
OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: