Ki Summary

Reaction Details

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Target

Isocitrate dehydrogenase [NADP] cytoplasmic

Ligand

BDBM146173

Substrate/Competitor

n/a

Meas. Tech.

LC-MS Biochemical Assay

7.4±n/a

Temperature

298.15±n/a K

IC50

26±n/a nM

Comments

extracted

Citation

Caferro, TR; Cho, YS; Costales, AQ; Lei, H; Lenoir, F; Levell, JR; Liu, G; Palermo, MG; Pfister, KB; Sendzik, M; Shafer, C; Shultz, MD; Smith, T; Sutton, JC; Toure, B; Yang, F; Zhao, Q 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH US Patent US8957068 Publication Date 2/17/2015

More Info.:

Get all data from this article, Assay Method

Isocitrate dehydrogenase [NADP] cytoplasmic

Name:

Isocitrate dehydrogenase [NADP] cytoplasmic

Synonyms:

Type:

Protein

Mol. Mass.:

46661.29

Organism:

Homo sapiens (Human)

Description:

O75874

Residue:

414

Sequence:

MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGRHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL

BDBM146173

n/a

Name

BDBM146173

Synonyms:

US8957068, 225

Type

Small organic molecule

Emp. Form.

C27H33F4N5O4

Mol. Mass.

567.5756

SMILES

CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(CC3)OCC(F)(F)F)c(F)c2)n1 |r,wU:15.16,wD:3.2,(9.9,-1.54,;9.13,-.21,;7.59,-.21,;9.9,1.13,;11.44,1.13,;11.92,2.59,;10.67,3.5,;10.67,5.04,;9.42,2.59,;8.09,3.36,;8.09,4.9,;6.76,5.67,;5.42,4.9,;5.42,3.36,;4.09,2.59,;4.09,1.05,;5.42,.28,;2.76,.28,;2.76,-1.26,;1.42,-2.03,;.09,-1.26,;-1.25,-2.03,;-1.25,-3.57,;-2.58,-1.26,;-3.91,-2.03,;-5.25,-1.26,;-6.58,-2.03,;-6.58,-3.57,;-5.25,-4.34,;-3.91,-3.57,;-7.91,-4.34,;-9.25,-3.57,;-9.25,-2.03,;-9.25,-.49,;-7.71,-2.03,;-10.79,-2.03,;.09,.28,;-1.25,1.05,;1.42,1.05,;6.76,2.59,)|

Structure