Reaction Details |
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Target | Isocitrate dehydrogenase [NADP] cytoplasmic |
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Ligand | BDBM50503280 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1825946 (CHEMBL4325710) |
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IC50 | <2.0±n/a nM |
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Citation | Caravella, JA; Lin, J; Diebold, RB; Campbell, AM; Ericsson, A; Gustafson, G; Wang, Z; Castro, J; Clarke, A; Gotur, D; Josephine, HR; Katz, M; Kershaw, M; Yao, L; Toms, AV; Barr, KJ; Dinsmore, CJ; Walker, D; Ashwell, S; Lu, W Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor. J Med Chem63:1612-1623 (2020) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Isocitrate dehydrogenase [NADP] cytoplasmic |
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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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BDBM50503280 |
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n/a |
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Name | BDBM50503280 |
Synonyms: | CHEMBL4469055 | US11311527, Cpd ID I-26 | US11376246, Cpd ID I-26 | US11576906, Compound I-26 |
Type | Small organic molecule |
Emp. Form. | C25H22ClN5O3 |
Mol. Mass. | 475.927 |
SMILES | C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(O[C@H](C)c3ccccn3)cc2[nH]c1=O |r| |
Structure |
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