| Reaction Details |
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 | Report a problem with these data |
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic |
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| Ligand | BDBM195601 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1826419 (CHEMBL4326293) |
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| IC50 | 970±n/a nM |
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| Citation |  Jakob, CG; Upadhyay, AK; Donner, PL; Nicholl, E; Addo, SN; Qiu, W; Ling, C; Gopalakrishnan, SM; Torrent, M; Cepa, SP; Shanley, J; Shoemaker, AR; Sun, CC; Vasudevan, A; Woller, KR; Shotwell, JB; Shaw, B; Bian, Z; Hutti, JE Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J Med Chem61:6647-6657 (2018) [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 |
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| Synonyms: | Cytosolic NADP-isocitrate dehydrogenase | IDH | IDH1 | IDHC_HUMAN | IDP | Isocitrate Dehydrogenase (IDH1) | Isocitrate dehydrogenase 1 (IDH1) | NADP(+)-specific ICDH | Oxalosuccinate decarboxylase | PICD |
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| Type: | Protein |
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| Mol. Mass.: | 46661.29 |
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| Organism: | Homo sapiens (Human) |
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| Description: | O75874 |
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| Residue: | 414 |
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| Sequence: | MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGRHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
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| BDBM195601 |
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| n/a |
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| Name | BDBM195601 |
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| Synonyms: | GSK321 | US11311527, Cpd ID GSK321 | US11376246, Cpd ID GSK321 | US11576906, Compound GSK321 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H28FN5O3 |
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| Mol. Mass. | 501.552 |
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| SMILES | C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r| |
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| Structure | 
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