| Reaction Details |
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 | Report a problem with these data |
| Target | Isocitrate dehydrogenase [NADP] cytoplasmic |
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| Ligand | BDBM50506590 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1826419 (CHEMBL4326293) |
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| IC50 | 41±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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| BDBM50506590 |
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| n/a |
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| Name | BDBM50506590 |
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| Synonyms: | CHEMBL4593992 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H22N4O3 |
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| Mol. Mass. | 450.4886 |
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| SMILES | [H][C@@]12CCc3cnc(Nc4ccccc4)nc3[C@]1(C=C(C#N)C(=O)[C@H]2C)c1cccc(c1)C(O)=O |r,t:21| |
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| Structure | 
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