Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H]
LigandBDBM287847
Substrate/Competitorn/a
Meas. Tech.R132H IDH1 Enzymatic Assay
pH7±n/a
Temperature298.15±n/a K
IC50 4.00±n/a nM
Commentsextracted
Citation Fischer, CBogen, SLChilders, MLFradera Llinas, FXKim, AJLampe, JWMachacek, MRMcMasters, DRParker, Jr., DLSciammetta, NShao, PPSloman, DLSun, WUjjainwalla, FHuang, C Tricyclic compounds as inhibitors of mutant IDH enzymes US Patent US10086000 Publication Date 10/2/2018
More Info.:Get all data from this article,  Assay Method
 
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Name:Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Synonyms:Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) | IDH1 | IDH1 R132H | IDH1(R132H) | IDHC_HUMAN | Isocitrate dehydrogenase (IDH1)(R132H) | Isocitrate dehydrogenase 1 mutant (R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (R132H) | PICD
Type:Protein
Mol. Mass.:46641.74
Organism:Homo sapiens (Human)
Description:Human IDH1 R132H (SEQ ID No. 2 in patent). First three are removed. Google patent parsed wrong.
Residue:414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDA
AEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRL
VSGWVKPIIIGHHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAM
GMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFE
AQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDG
KTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALE
EVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM287847
n/a
NameBDBM287847
Synonyms:8-bromo-6-(6,7,8,9- tetrahydro-5H- benzo[7]annulen-7- ylcarbonyl)-6,11-dihydro- 5H-pyrido[2,3-b] [1,5]benzodiazepine | US10086000, Example 64 | US10508108, Example 64
TypeSmall organic molecule
Emp. Form.C24H22BrN3O
Mol. Mass.448.355
SMILESBrc1ccc2Nc3ncccc3CN(C(=O)C3CCc4ccccc4CC3)c2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: