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Target
Aldo-keto reductase family 1 member A1
Ligand
BDBM50089423
Substrate
n/a
Meas. Tech.
ChEMBL_306703 (CHEMBL830860)
IC50
17800±n/a nM
Citation
 El-Kabbani, O; Carbone, V; Darmanin, C; Oka, M; Mitschler, A; Podjarny, A; Schulze-Briese, C; Chung, RP Structure of aldehyde reductase holoenzyme in complex with the potent aldose reductase inhibitor fidarestat: implications for inhibitor binding and selectivity. J Med Chem 48:5536-42 (2005) [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:
Pig
Description:
ChEMBL_615076
Residue:
325
Sequence:
MAASCVLLHTGQKMPLIGLGTWKSEPGQVKAAIKYALTVGYRHIDCAAIYGNELEIGEALTETVGPGKAVPREELFVTSKLWNTKHHPEDVEPALRKTLADLQLEYLDLYLMHWPYAFERGDNPFPKNADGTIRYDATHYKDTWKALEALVAKGLVRALGLSNFSSRQIDDVLSVASVRPAVLQVECHPYLAQNELIAHCQARGLEVTAYSPLGSSDRAWRDPNEPVLLEEPVVQALAEKYNRSPAQILLRWQVQRKVICIPKSVTPSRILQNIQVFDFTFSPEEMKQLDALNKNLRFIVPMLTVDGKRVPRDAGHPLYPFNDPY
  
Inhibitor
Name:
BDBM50089423
Synonyms:
6-fluoro-2',5'-dioxo-(2R,4'S)-spiro[3,4-dihydro-2H-chromene-4,4'-(1'H,2'H-imidazole)]-2-carboxamide | 6-fluoro-2'',5''-dioxo-(2R,4''S)-spiro[3,4-dihydro-2H-chromene-4,4''-(1''H,2''H-imidazole)]-2-carboxamide | (2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE | (2R,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide | CHEMBL84060
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
c1cc2c(cc1F)[C@@]3(C[C@@H](O2)C(=O)N)C(=O)NC(=O)N3
Structure:
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