Reaction Details |
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Target | Aldehyde dehydrogenase 1A1 |
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Ligand | BDBM50303403 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1659743 (CHEMBL4009355) |
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Ki | 6900±n/a nM |
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Citation | Buchman, CD; Hurley, TD Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives. J Med Chem60:2439-2455 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Aldehyde dehydrogenase 1A1 |
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Name: | Aldehyde dehydrogenase 1A1 |
Synonyms: | AL1A1_HUMAN | ALDC | ALDH-E1 | ALDH1 | ALDH1A1 | ALHDII | Aldehyde dehydrogenase 1A1 (ALDH1A1) | Aldehyde dehydrogenase family 1 member A1 | Aldehyde dehydrogenase family 1 member A1 (ALDH1A1) | Aldehyde dehydrogenase, cytosolic | PUMB1 | RALDH 1 | RalDH1 | Retinal dehydrogenase 1 |
Type: | Protein |
Mol. Mass.: | 54862.21 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 501 |
Sequence: | MSSSGTPDLPVLLTDLKIQYTKIFINNEWHDSVSGKKFPVFNPATEEELCQVEEGDKEDV
DKAVKAARQAFQIGSPWRTMDASERGRLLYKLADLIERDRLLLATMESMNGGKLYSNAYL
NDLAGCIKTLRYCAGWADKIQGRTIPIDGNFFTYTRHEPIGVCGQIIPWNFPLVMLIWKI
GPALSCGNTVVVKPAEQTPLTALHVASLIKEAGFPPGVVNIVPGYGPTAGAAISSHMDID
KVAFTGSTEVGKLIKEAAGKSNLKRVTLELGGKSPCIVLADADLDNAVEFAHHGVFYHQG
QCCIAASRIFVEESIYDEFVRRSVERAKKYILGNPLTPGVTQGPQIDKEQYDKILDLIES
GKKEGAKLECGGGPWGNKGYFVQPTVFSNVTDEMRIAKEEIFGPVQQIMKFKSLDDVIKR
ANNTFYGLSAGVFTKDIDKAITISSALQAGTVWVNCYGVVSAQCPFGGFKMSGNGRELGE
YGFHEYTEVKTVTVKISQKNS
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BDBM50303403 |
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n/a |
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Name | BDBM50303403 |
Synonyms: | 2-(4-methyl-2-oxo-2H-chromen-7-yloxy)acetonitrile | CHEMBL570844 | cid_1633306 |
Type | Small organic molecule |
Emp. Form. | C12H9NO3 |
Mol. Mass. | 215.2048 |
SMILES | Cc1cc(=O)oc2cc(OCC#N)ccc12 |
Structure |
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