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TargetAldehyde dehydrogenase 1A1 (ALDH1A1)
LigandBDBM50445534
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1285211
IC50 1918±n/a nM
Citation Duveau, DYYasgar, AWang, YHu, XKouznetsova, JBrimacombe, KRJadhav, ASimeonov, AThomas, CJMaloney, DJ Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors. Bioorg Med Chem Lett24:630-5 (2014) [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:
BDBM50445534
NameBDBM50445534
Synonyms:CHEMBL3103021
TypeSmall organic molecule
Emp. Form.C22H25N3O
Mol. Mass.347.4534
SMILESCc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCC(C)(C)C1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a