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Target
Aldehyde dehydrogenase, mitochondrial
Ligand
BDBM50292380
Substrate
n/a
Meas. Tech.
ChEMBL_482175 (CHEMBL960209)
IC50
720±n/a nM
Citation
 Shin, KH; Woo, WS; Lim, SS; Shim, CS; Chung, HS; Kennelly, EJ; Kinghorn, AD Elgonica-Dimers A and B, Two Potent Alcohol Metabolism Inhibitory Constituents of Aloe arborescens J Nat Prod 60:1180-1182 (1997)    Article 
Target
Name:
Aldehyde dehydrogenase, mitochondrial
Synonyms:
ALDH2_RAT | Aldehyde dehydrogenase | Aldh2
Type:
PROTEIN
Mol. Mass.:
56489.77
Organism:
Rattus norvegicus
Description:
ChEMBL_592877
Residue:
519
Sequence:
MLRAALSTARRGPRLSRLLSAAATSAVPAPNQQPEVFCNQIFINNEWHDAVSKKTFPTVNPSTGEVICQVAEGNKEDVDKAVKAAQAAFQLGSPWRRMDASDRGRLLYRLADLIERDRTYLAALETLDNGKPYVISYLVDLDMVLKCLRYYAGWADKYHGKTIPIDGDFFSYTRHEPVGVCGQIIPWNFPLLMQAWKLGPALATGNVVVMKVAEQTPLTALYVANLIKEAGFPPGVVNIVPGFGPTAGAAIASHEDVDKVAFTGSTEVGHLIQVAAGSSNLKRVTLELGGKSPNIIMSDADMDWAVEQAHFALFFNQGQCCCAGSRTFVQEDVYDEFVERSVARAKSRVVGNPFDSRTEQGPQVDETQFKKILGYIKSGQQEGAKLLCGGGAAADRGYFIQPTVFGDVKDGMTIAKEEIFGPVMQILKFKTIEEVVGRANNSKYGLAAAVFTKDLDKANYLSQALQAGTVWINCYDVFGAQSPFGGYKMSGSGRELGEYGLQAYTEVKTVTVKVPQKNS
  
Inhibitor
Name:
BDBM50292380
Synonyms:
10'-D-glucopyranosyl-1,8,1',8'-tetrahydroxy-3,3'-bis(hydroxymethyl)[7,10'-bianthracene]-9,10,9'-trione A | CHEMBL449188 | CHEMBL494494
Type:
Small organic molecule
Emp. Form.:
C36H30O14
Mol. Mass.:
686.615
SMILES:
OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1(c2ccc3C(=O)c4cc(CO)cc(O)c4C(=O)c3c2O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r|
Structure:
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