Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Ligand
BDBM278615
Substrate
n/a
Meas. Tech.
Inhibitory Activity Against IDH1R132H and IDH1R132C Enzymes
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
8.00±n/a nM
Comments
extracted
Citation
 Saito, S; Itoh, M; Fujisawa, T; Saito, H; Kiyotsuka, Y; Watanabe, H; Matsunaga, H; Kagoshima, Y; Suzuki, T; Ogawara, Y; Kitabayashi, K Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor US Patent  US10040791 Publication Date 8/7/2018 
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:
BDBM278615
Synonyms:
(2E)-3-(1-{[3-(2,6- Dichlorophenyl)-5-(2- methyloxetan-2-yl)-1,2-oxazol- 4-yl]carbonyl}-1H-indol-4- yl)prop-2-enoic acid | US10040791, Example 77
Type:
Small organic molecule
Emp. Form.:
C25H18Cl2N2O5
Mol. Mass.:
497.327
SMILES:
CC1(CCO1)c1onc(c1C(=O)n1ccc2c(\C=C\C(O)=O)cccc12)-c1c(Cl)cccc1Cl |(.55,1.35,;-.54,2.44,;.79,3.21,;.02,4.54,;-1.31,3.77,;-2.03,2.04,;-3.28,2.94,;-4.52,2.04,;-4.05,.57,;-2.51,.57,;-1.74,-.76,;-2.51,-2.09,;-.2,-.76,;.71,.49,;2.17,.01,;2.17,-1.53,;3.32,-2.56,;4.78,-2.08,;5.1,-.58,;6.57,-.1,;7.71,-1.13,;6.89,1.41,;3,-4.07,;1.53,-4.54,;.39,-3.51,;.71,-2,;-5.14,-.51,;-6.62,-.12,;-7.02,1.37,;-7.71,-1.2,;-7.31,-2.69,;-5.83,-3.09,;-4.74,-2,;-3.25,-2.4,)|
Structure:
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