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Target
Aldo-keto reductase family 1 member A1
Ligand
BDBM50003616
Substrate
n/a
Meas. Tech.
ChEMBL_613501 (CHEMBL1072267)
IC50
50100±n/a nM
Citation
 Pegklidou, K; Koukoulitsa, C; Nicolaou, I; Demopoulos, VJ Design and synthesis of novel series of pyrrole based chemotypes and their evaluation as selective aldose reductase inhibitors. A case of bioisosterism between a carboxylic acid moiety and that of a tetrazole. Bioorg Med Chem 18:2107-14 (2010) [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:
BDBM50003616
Synonyms:
2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n-propylessigsaeure | VALPROIC ACID | Valproinsaeure | dipropylacetic acid | n-DPA
Type:
Small organic molecule
Emp. Form.:
C8H16O2
Mol. Mass.:
144.2114
SMILES:
CCCC(CCC)C(O)=O
Structure:
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