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Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Ligand
BDBM363652
Substrate
n/a
Meas. Tech.
In Vitro Assays
IC50
<100±n/a nM
Citation
 Popovici-Muller, J; Lemieux, RM; Travins, J; Cai, Z; Cui, D; Zhou, D Therapeutically active compositions and their methods of use US Patent  US10640534 Publication Date 5/5/2020 
Target
Name:
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Synonyms:
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) | IDH1 | IDH1 R132H | IDH1(R132H) | IDHC_HUMAN | Isocitrate dehydrogenase (IDH1)(R132H) | Isocitrate dehydrogenase 1 mutant (R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (R132H) | PICD
Type:
Protein
Mol. Mass.:
46641.74
Organism:
Homo sapiens (Human)
Description:
Human IDH1 R132H (SEQ ID No. 2 in patent). First three are removed. Google patent parsed wrong.
Residue:
414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRLVSGWVKPIIIGHHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAMGMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFEAQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDGKTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALEEVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
  
Inhibitor
Name:
BDBM363652
Synonyms:
US10640534, Compound 139 | US10689414, Compound 139 | US10717764, Compound 139 | US11021515, Compound 139 | US11667673, Compound 139 | US9850277, Compound 139
Type:
Small organic molecule
Emp. Form.:
C31H26ClF4N5O4
Mol. Mass.:
644.016
SMILES:
Fc1cc(F)cc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1CCOC(=O)N1c1cc(ccn1)C#N |r|
Structure:
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