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Target
Aldo-keto reductase family 1 member A1
Ligand
BDBM50213307
Substrate
n/a
Meas. Tech.
ChEMBL_615076 (CHEMBL1105192)
IC50
5400±n/a nM
Citation
 Carbone, V; Giglio, M; Chung, R; Huyton, T; Adams, J; Maccari, R; Ottana, R; Hara, A; El-Kabbani, O Structure of aldehyde reductase in ternary complex with a 5-arylidene-2,4-thiazolidinedione aldose reductase inhibitor. Eur J Med Chem 45:1140-5 (2010) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member A1
Synonyms:
AK1A1_PIG | AKR1A1 | ALR | ALR1 | Aldehyde reductase
Type:
PROTEIN
Mol. Mass.:
36557.09
Organism:
Sus scrofa
Description:
ChEMBL_615076
Residue:
325
Sequence:
MAASCVLLHTGQKMPLIGLGTWKSEPGQVKAAIKYALTVGYRHIDCAAIYGNELEIGEALTETVGPGKAVPREELFVTSKLWNTKHHPEDVEPALRKTLADLQLEYLDLYLMHWPYAFERGDNPFPKNADGTIRYDATHYKDTWKALEALVAKGLVRALGLSNFSSRQIDDVLSVASVRPAVLQVECHPYLAQNELIAHCQARGLEVTAYSPLGSSDRAWRDPNEPVLLEEPVVQALAEKYNRSPAQILLRWQVQRKVICIPKSVTPSRILQNIQVFDFTFSPEEMKQLDALNKNLRFIVPMLTVDGKRVPRDAGHPLYPFNDPY
  
Inhibitor
Name:
BDBM50213307
Synonyms:
CHEMBL396176 | [(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | [5-(3-carboxymethoxy-4-methoxybenzylidene)-2,4-dioxothiazolidin-3-yl]acetic acid
Type:
Small organic molecule
Emp. Form.:
C15H13NO8S
Mol. Mass.:
367.331
SMILES:
COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1OCC(O)=O
Structure:
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