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Target
Isocitrate dehydrogenase [NADP], mitochondrial
Ligand
BDBM279898
Substrate
n/a
Meas. Tech.
ChEMBL_1838753 (CHEMBL4338886)
IC50
4.0±n/a nM
Citation
 Konteatis, Z; Artin, E; Nicolay, B; Straley, K; Padyana, AK; Jin, L; Chen, Y; Narayaraswamy, R; Tong, S; Wang, F; Zhou, D; Cui, D; Cai, Z; Luo, Z; Fang, C; Tang, H; Lv, X; Nagaraja, R; Yang, H; Su, SM; Sui, Z; Dang, L; Yen, K; Popovici-Muller, J; Codega, P; Campos, C; Mellinghoff, IK; Biller, SA Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. ACS Med Chem Lett 11:101-107 (2020) [PubMed]  Article 
Target
Name:
Isocitrate dehydrogenase [NADP], mitochondrial
Synonyms:
IDH2 | IDH2 (R172K, 40-end) | IDHP_HUMAN | Isocitrate dehydrogenase 2 (IDH2)
Type:
Protein
Mol. Mass.:
50923.31
Organism:
Homo sapiens (Human)
Description:
Full-length wild-type
Residue:
452
Sequence:
MAGYLRVVRSLCRASGSRPAWAPAALTAPTSQEQPRRHYADKRIKVAKPVVEMDGDEMTRIIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDEARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGRHAHGDQYKATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAIQKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKSSGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQKGRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIHGLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ
  
Inhibitor
Name:
BDBM279898
Synonyms:
US10028961, Compound 45 | US10172864, Compound 45 | US10946023, Compound 45
Type:
Small organic molecule
Emp. Form.:
C18H23ClN6
Mol. Mass.:
358.868
SMILES:
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(Cl)n1)C1CC1 |r|
Structure:
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