Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Ligand
BDBM448740
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
495±n/a nM
Citation
 Lumeras Amador, W; Boulet, SL; Burkholder, TP; Carballares Martin, S; Gilmour, R; Hahn, PJ; Bauer, RA; Rankovic, Z Mutant IDH1 inhibitors US Patent  US10696665 Publication Date 6/30/2020 
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:
BDBM448740
Synonyms:
(S)-3-(2-((1-(4-((4- acryloylpiperazin-1- yl)methyl)phenyl)ethyl) amino)-5-fluoropyrimidin- 4-yl)-4,4- dimethyloxazolidin-2-one | US10696665, Example 8
Type:
Small organic molecule
Emp. Form.:
C25H31FN6O3
Mol. Mass.:
482.5504
SMILES:
C[C@H](Nc1ncc(F)c(n1)N1C(=O)OCC1(C)C)c1ccc(CN2CCN(CC2)C(=O)C=C)cc1 |r|
Structure:
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