Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetIDH1 R132C
LigandBDBM279977
Substrate/Competitorn/a
Meas. Tech.In Vitro Assays for IDH1m (R132H or R132C) Inhibitors
pH6.5±n/a
Temperature298.15±n/a K
IC50<50±n/a nM
Commentsextracted
Citation Konteatis ZDPopovici-Muller JTravins JMZahler RCai ZZhou D Therapeutically active compounds and their methods of use US Patent  US10028961 Publication Date 7/24/2018
More Info.:Get all data from this article,  Assay Method
 
IDH1 R132C
Name:IDH1 R132C
Synonyms:IDH1(R132C) | Isocitrate dehydrogenase (IDH1)(R132C) | Isocitrate dehydrogenase 1 mutant (R132C) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) (R132C)
Type:Enzyme Catalytic Domain
Mol. Mass.:46607.23
Organism:Homo sapiens (Human)
Description:n/a
Residue:414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGCHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM279977
n/a
NameBDBM279977
Synonyms:US10028961, Compound 130 | US10172864, Compound 130
TypeSmall organic molecule
Emp. Form.C14H13ClF6N6
Mol. Mass.414.737
SMILESCC(Nc1nc(NC(C)C(F)(F)F)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: