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Target
Aldo-keto reductase family 1 member A1
Ligand
BDBM16314
Substrate
n/a
Meas. Tech.
ChEMBL_31325 (CHEMBL644878)
IC50
1210±n/a nM
Citation
 Costantino, L; Rastelli, G; Vescovini, K; Cignarella, G; Vianello, P; Del Corso, A; Cappiello, M; Mura, U; Barlocco, D Synthesis, activity, and molecular modeling of a new series of tricyclic pyridazinones as selective aldose reductase inhibitors. J Med Chem 39:4396-405 (1996) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member A1
Synonyms:
AK1A1_RAT | Akr1a1 | Aldehyde reductase | Alr
Type:
PROTEIN
Mol. Mass.:
36509.97
Organism:
Rattus norvegicus
Description:
ChEMBL_31321
Residue:
325
Sequence:
MTASSVLLHTGQKMPLIGLGTWKSEPGQVKAAIKYALSVGYRHIDCASVYGNETEIGEALKESVGAGKAVPREELFVTSKLWNTKHHPEDVEPAVRKTLADLQLEYLDLYLMHWPYAFERGDNPFPKNADGTVKYDSTHYKETWKALEALVAKGLVKALGLSNFSSRQIDDVLSVASVRPAVLQVECHPYLAQNELIAHCQARGLEVTAYSPLGSSDRAWRHPDEPVLLEEPVVLALAEKHGRSPAQILLRWQVQRKVICIPKSITPSRILQNIQVFDFTFSPEEMKQLDALNKNWRYIVPMITVDGKRVPRDAGHPLYPFNDPY
  
Inhibitor
Name:
BDBM16314
Synonyms:
2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-N-methylmethanethioamido}acetic acid | Alredase | CHEMBL436 | N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine | Tolrestat
Type:
Small organic molecule
Emp. Form.:
C16H14F3NO3S
Mol. Mass.:
357.347
SMILES:
COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Structure:
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