Reaction Details |
| Report a problem with these data |
Target | Isocitrate dehydrogenase [NADP] cytoplasmic |
---|
Ligand | BDBM363689 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_2103885 (CHEMBL4812388) |
---|
IC50 | 65±n/a nM |
---|
Citation | Rohde, JM; Karavadhi, S; Pragani, R; Liu, L; Fang, Y; Zhang, W; McIver, A; Zheng, H; Liu, Q; Davis, MI; Urban, DJ; Lee, TD; Cheff, DM; Hollingshead, M; Henderson, MJ; Martinez, NJ; Brimacombe, KR; Yasgar, A; Zhao, W; Klumpp-Thomas, C; Michael, S; Covey, J; Moore, WJ; Stott, GM; Li, Z; Simeonov, A; Jadhav, A; Frye, S; Hall, MD; Shen, M; Wang, X; Patnaik, S; Boxer, MB Discovery and Optimization of 2 J Med Chem64:4913-4946 (2021) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Isocitrate dehydrogenase [NADP] cytoplasmic |
---|
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
|
|
|
BDBM363689 |
---|
n/a |
---|
Name | BDBM363689 |
Synonyms: | US10640534, Compound 176 | US10682352, Compound AG120 | US10717764, Compound 176 | US11021515, Compound 176 | US11311527, Cpd ID AG-120 | US11376246, Cpd ID AG-120 | US11576906, Compound AG-120 | US11667673, Compound 176 | US9850277, Compound 176 |
Type | Small organic molecule |
Emp. Form. | C28H22ClF3N6O3 |
Mol. Mass. | 582.961 |
SMILES | Fc1cncc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N |r| |
Structure |
|