Target
Aldo-keto reductase family 1 member A1
Ligand
BDBM50363066
Substrate
n/a
Meas. Tech.
ChEMBL_800762 (CHEMBL1948098)
IC50
10000±n/a nM
Citation
 Minehira, DTakeda, DUrata, HKato, AAdachi, IWang, XMatsuya, YSugimoto, KTakemura, MEndo, SMatsunaga, THara, AKoseki, JNarukawa, KHirono, SToyooka, N Design, synthesis, and biological evaluation of novel (1-thioxo-1,2,3,4-tetrahydro-ß-carbolin-9-yl)acetic acids as selective inhibitors for AKR1B1. Bioorg Med Chem 20:356-67 (2011) [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:
BDBM50363066
Synonyms:
CHEMBL1944857
Type:
Small organic molecule
Emp. Form.:
C20H16Cl2N2O2S
Mol. Mass.:
419.324
SMILES:
OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2c(Cl)cc(Cl)cc12
Structure:
Search PDB for entries with ligand similarity: