Reaction Details |
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Target | Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] |
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Ligand | BDBM280017 |
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Substrate/Competitor | n/a |
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Meas. Tech. | In Vitro Assays for IDH1m (R132H or R132C) Inhibitors |
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IC50 | <50±n/a nM |
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Citation | Konteatis, ZD; Popovici-Muller, J; Travins, J; Zahler, R; Cai, Z; Zhou, D Therapeutically active compounds and their methods of use US Patent US10946023 Publication Date 3/16/2021 |
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More Info.: | Get all data from this article, Assay Method |
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Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] |
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Name: | Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] |
Synonyms: | IDH1 WT/IDH1 R132C | Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] |
Type: | Protein |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 2 components. |
Component 1 |
Name: | Isocitrate dehydrogenase [NADP] cytoplasmic |
Synonyms: | Cytosolic NADP-isocitrate dehydrogenase | IDH | IDH1 | IDHC_HUMAN | IDP | Isocitrate Dehydrogenase (IDH1) | Isocitrate dehydrogenase 1 (IDH1) | NADP(+)-specific ICDH | Oxalosuccinate decarboxylase | PICD |
Type: | Protein |
Mol. Mass.: | 46661.29 |
Organism: | Homo sapiens (Human) |
Description: | O75874 |
Residue: | 414 |
Sequence: | MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGRHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
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Component 2 |
Name: | Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] |
Synonyms: | IDH1 | IDH1 R132C | IDH1(R132C) | IDHC_HUMAN | Isocitrate dehydrogenase (IDH1)(R132C) | Isocitrate dehydrogenase 1 mutant (R132C) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) (R132C) | PICD |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 46607.23 |
Organism: | Homo sapiens (Human) |
Description: | O75874[R132C] |
Residue: | 414 |
Sequence: | MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGCHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
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BDBM280017 |
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n/a |
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Name | BDBM280017 |
Synonyms: | US10028961, Compound 170 | US10172864, Compound 170 | US10946023, Compound 170 |
Type | Small organic molecule |
Emp. Form. | C15H13F7N6S |
Mol. Mass. | 442.358 |
SMILES | FC(F)(F)c1nc(cs1)-c1nc(NC2CC(F)(F)C2)nc(NC2CC(F)(F)C2)n1 |
Structure |
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