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TargetAldehyde dehydrogenase 1A1 (ALDH1A1)
LigandBDBM50272239
Substrate/Competitorn/a
Meas. Tech.ChEMBL_510885
Ki 280000±n/a nM
Citation Quash, GFournet, GCourvoisier, CMartinez, RMChantepie, JParet, MJPharaboz, JJoly-Pharaboz, MOGoré, JAndré, JReichert, U Aldehyde dehydrogenase inhibitors: alpha,beta-acetylenic N-substituted aminothiolesters are reversible growth inhibitors of normal epithelial but irreversible apoptogens for cancer epithelial cells from human prostate in culture. Eur J Med Chem43:906-16 (2008) [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
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  Blast E-value cutoff:
BDBM50272239
NameBDBM50272239
Synonyms:4-amino-4-methyl-pent-2-ynthioic acid S-methyl ester | CHEMBL447800
TypeSmall organic molecule
Emp. Form.C7H11NOS
Mol. Mass.157.233
SMILESCSC(=O)C#CC(C)(C)N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a