Reaction Details |
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Target | Aldehyde dehydrogenase, mitochondrial |
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Ligand | BDBM50076740 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1473081 (CHEMBL3421191) |
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IC50 | >100000±n/a nM |
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Citation | Morgan, CA; Hurley, TD Characterization of two distinct structural classes of selective aldehyde dehydrogenase 1A1 inhibitors. J Med Chem58:1964-75 (2015) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Aldehyde dehydrogenase, mitochondrial |
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Name: | Aldehyde dehydrogenase, mitochondrial |
Synonyms: | ALDH class 2 | ALDH-E2 | ALDH2 | ALDH2_HUMAN | ALDHI | ALDM | Aldehyde dehydrogenase (ALDH2) |
Type: | Enzyme |
Mol. Mass.: | 56382.67 |
Organism: | Homo sapiens (Human) |
Description: | P05091 |
Residue: | 517 |
Sequence: | MLRAAARFGPRLGRRLLSAAATQAVPAPNQQPEVFCNQIFINNEWHDAVSRKTFPTVNPS
TGEVICQVAEGDKEDVDKAVKAARAAFQLGSPWRRMDASHRGRLLNRLADLIERDRTYLA
ALETLDNGKPYVISYLVDLDMVLKCLRYYAGWADKYHGKTIPIDGDFFSYTRHEPVGVCG
QIIPWNFPLLMQAWKLGPALATGNVVVMKVAEQTPLTALYVANLIKEAGFPPGVVNIVPG
FGPTAGAAIASHEDVDKVAFTGSTEIGRVIQVAAGSSNLKRVTLELGGKSPNIIMSDADM
DWAVEQAHFALFFNQGQCCCAGSRTFVQEDIYDEFVERSVARAKSRVVGNPFDSKTEQGP
QVDETQFKKILGYINTGKQEGAKLLCGGGIAADRGYFIQPTVFGDVQDGMTIAKEEIFGP
VMQILKFKTIEEVVGRANNSTYGLAAAVFTKDLDKANYLSQALQAGTVWVNCYDVFGAQS
PFGGYKMSGSGRELGEYGLQAYTEVKTVTVKVPQKNS
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BDBM50076740 |
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n/a |
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Name | BDBM50076740 |
Synonyms: | CHEMBL1382328 |
Type | Small organic molecule |
Emp. Form. | C23H30N6O3 |
Mol. Mass. | 438.5227 |
SMILES | Cn1c2nc(CN3CCC(CC3)C(N)=O)n(CCCc3ccccc3)c2c(=O)n(C)c1=O |
Structure |
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