BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAldehyde dehydrogenase family 1 member A3
LigandBDBM50406339
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2266495
IC50<100±n/a nM
Citation Kargbo, RB Discovery of Selective Aldehyde Dehydrogenase Inhibitors for the Treatment of Cancer. ACS Med Chem Lett14:131-132 (2023) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Aldehyde dehydrogenase family 1 member A3
Name:Aldehyde dehydrogenase family 1 member A3
Synonyms:AL1A3_HUMAN | ALDH1A3 | ALDH6 | Aldehyde dehydrogenase 6 | Aldehyde dehydrogenase family 1 member A3 | RALDH-3 | RalDH3 | Retinaldehyde dehydrogenase 3
Type:PROTEIN
Mol. Mass.:56110.85
Organism:Homo sapiens (Human)
Description:ChEMBL_109700
Residue:512
Sequence:
MATANGAVENGQPDRKPPALPRPIRNLEVKFTKIFINNEWHESKSGKKFATCNPSTREQI
CEVEEGDKPDVDKAVEAAQVAFQRGSPWRRLDALSRGRLLHQLADLVERDRATLAALETM
DTGKPFLHAFFIDLEGCIRTLRYFAGWADKIQGKTIPTDDNVVCFTRHEPIGVCGAITPW
NFPLLMLVWKLAPALCCGNTMVLKPAEQTPLTALYLGSLIKEAGFPPGVVNIVPGFGPTV
GAAISSHPQINKIAFTGSTEVGKLVKEAASRSNLKRVTLELGGKNPCIVCADADLDLAVE
CAHQGVFFNQGQCCTAASRVFVEEQVYSEFVRRSVEYAKKRPVGDPFDVKTEQGPQIDQK
QFDKILELIESGKKEGAKLECGGSAMEDKGLFIKPTVFSEVTDNMRIAKEEIFGPVQPIL
KFKSIEEVIKRANSTDYGLTAAVFTKNLDKALKLASALESGTVWINCYNALYAQAPFGGF
KMSGNGRELGEYALAEYTEVKTVTIKLGDKNP
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50406339
n/a
NameBDBM50406339
Synonyms:CHEMBL5278448
TypeSmall organic molecule
Emp. Form.C22H19FN4O3S
Mol. Mass.438.475
SMILESOC1CN(C1)c1nc(c(s1)C(=O)Nc1ccc2NC(=O)CCc2c1)-c1cccc(F)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: