Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAldehyde dehydrogenase 3A1 (ALDH3A1)
LigandBDBM50447056
Substrate/CompetitorBDBM60953
Meas. Tech.Inhibiton Assay
Ki 200±n/a nM
Citation Hurley, TD Regulators of aldehyde dehydrogenase ALDH3A1 and related therapeutic methods US Patent US9320722 Publication Date 4/26/2016
More Info.:Get all data from this article,  Assay Method
 
Aldehyde dehydrogenase 3A1 (ALDH3A1)
Name:Aldehyde dehydrogenase 3A1 (ALDH3A1)
Synonyms:Aldehyde dehydrogenase family 3 member A1 (ALDH3A1) | Aldehyde dehydrogenase family 3 member A1 (ALDH3A1) (Q122A)
Type:Protein
Mol. Mass.:50394.38
Organism:Homo sapiens (Human)
Description:n/a
Residue:453
Sequence:
MSKISEAVKRARAAFSSGRTRPLQFRIQQLEALQRLIQEQEQELVGALAADLHKNEWNAY
YEEVVYVLEEIEYMIQKLPEWAADEPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNL
TIQPMVGAIAAGNSVVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKER
FDHILYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAWGKFMNS
GQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGRIISARHFQRVMGLIEG
QKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEEIFGPVLPIVCVRSLEEAIQFINQREK
PLALYMFSSNDKVIKKMIAETSSGGVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFE
TFSHRRSCLVRPLMNDEGLKVRYPPSPAKMTQH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50447056
BDBM60953
NameBDBM50447056
Synonyms:CHEMBL1378094 | US9320722, CB7 | US9328112, CB7
TypeSmall organic molecule
Emp. Form.C14H11FN2O2S
Mol. Mass.290.313
SMILESCc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: