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TargetAldehyde dehydrogenase 1A1 (ALDH1A1)
LigandBDBM50076741
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1473075
Ki 230±n/a nM
Citation Morgan, CAHurley, TD Characterization of two distinct structural classes of selective aldehyde dehydrogenase 1A1 inhibitors. J Med Chem58:1964-75 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Aldehyde dehydrogenase 1A1 (ALDH1A1)
Name:Aldehyde dehydrogenase 1A1 (ALDH1A1)
Synonyms:ALDH-E1 | ALHDII | Aldehyde dehydrogenase family 1 member A1 | Aldehyde dehydrogenase family 1 member A1 (ALDH1A1) | Aldehyde dehydrogenase, cytosolic | 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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50076741
NameBDBM50076741
Synonyms:CHEMBL3416562
TypeSmall organic molecule
Emp. Form.C21H25N3O3S2
Mol. Mass.431.572
SMILESCCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCCN1CCCC1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a