| Reaction Details |
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 | Report a problem with these data |
| Target | Aldehyde dehydrogenase X, mitochondrial |
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| Ligand | BDBM50076553 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1473083 (CHEMBL3421193) |
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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 X, mitochondrial |
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| Name: | Aldehyde dehydrogenase X, mitochondrial |
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| Synonyms: | AL1B1_HUMAN | ALDH1B1 | ALDH5 | ALDHX | Aldehyde dehydrogenase 5 | Aldehyde dehydrogenase family 1 member B1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 57207.14 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_109700 |
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| Residue: | 517 |
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| Sequence: | MLRFLAPRLLSLQGRTARYSSAAALPSPILNPDIPYNQLFINNEWQDAVSKKTFPTVNPT
TGEVIGHVAEGDRADVDRAVKAAREAFRLGSPWRRMDASERGRLLNLLADLVERDRVYLA
SLETLDNGKPFQESYALDLDEVIKVYRYFAGWADKWHGKTIPMDGQHFCFTRHEPVGVCG
QIIPWNFPLVMQGWKLAPALATGNTVVMKVAEQTPLSALYLASLIKEAGFPPGVVNIITG
YGPTAGAAIAQHVDVDKVAFTGSTEVGHLIQKAAGDSNLKRVTLELGGKSPSIVLADADM
EHAVEQCHEALFFNMGQCCCAGSRTFVEESIYNEFLERTVEKAKQRKVGNPFELDTQQGP
QVDKEQFERVLGYIQLGQKEGAKLLCGGERFGERGFFIKPTVFGGVQDDMRIAKEEIFGP
VQPLFKFKKIEEVVERANNTRYGLAAAVFTRDLDKAMYFTQALQAGTVWVNTYNIVTCHT
PFGGFKESGNGRELGEDGLKAYTEVKTVTIKVPQKNS
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| BDBM50076553 |
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| n/a |
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| Name | BDBM50076553 |
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| Synonyms: | CHEMBL1538964 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H27N5O3 |
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| Mol. Mass. | 349.428 |
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| SMILES | CC(C)CCn1c(CN2CCOCC2)nc2n(C)c(=O)n(C)c(=O)c12 |
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| Structure | 
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