Reaction Details | |||
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Target | GTPase KRas [G12C] | ||
Ligand | BDBM608943 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Scintillation Proximity Assay (SPA) | ||
IC50 | >5000±n/a nM | ||
Citation | Cotesta, S; Gerspacher, M; Leblanc, C; Lorthiois, EL; Liu, B; Machauer, R; Mah, R; Mura, C; Rigollier, P; Schneider, N; Stutz, S; Vaupel, A; Warin, N; Wilcken, R Pyrazolyl derivatives useful as anti-cancer agents US Patent US11702409 Publication Date 7/18/2023 | ||
More Info.: | Get all data from this article, Assay Method | ||
GTPase KRas [G12C] | |||
Name: | GTPase KRas [G12C] | ||
Synonyms: | GTPase KRas (G12C) | KRAS | KRAS2 | RASK2 | RASK_HUMAN | ||
Type: | Enzyme Catalytic Domain | ||
Mol. Mass.: | 21702.19 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P01116[G12C] | ||
Residue: | 189 | ||
Sequence: |
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BDBM608943 | |||
n/a | |||
Name | BDBM608943 | ||
Synonyms: | US11702409, Example 44a | US11702409, Example 44b | ||
Type | Small organic molecule | ||
Emp. Form. | C32H35ClN6O2 | ||
Mol. Mass. | 571.112 | ||
SMILES | COCCN1CCc2cc(ccc12)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1-c1c(Cl)c(C)cc2[nH]ncc12 |(9.59,-6.07,;8.05,-6.07,;7.28,-4.73,;5.74,-4.73,;4.97,-3.4,;5.59,-1.99,;4.45,-.96,;3.12,-1.73,;1.65,-1.26,;.51,-2.29,;.83,-3.79,;2.29,-4.27,;3.44,-3.24,;-.96,-1.81,;-1.43,-.35,;-2.97,-.35,;-3.74,.99,;-5.23,1.39,;-4.83,2.87,;-3.35,2.48,;-6.32,3.27,;-5.92,4.76,;-4.43,4.36,;-7.01,5.85,;-6.61,7.34,;-8.5,5.45,;-9.59,6.54,;-3.45,-1.81,;-4.91,-2.29,;-2.2,-2.72,;-2.2,-4.26,;-3.54,-5.03,;-4.87,-4.26,;-3.54,-6.57,;-4.87,-7.34,;-2.2,-7.34,;-.87,-6.57,;.59,-7.04,;1.5,-5.8,;.59,-4.55,;-.87,-5.03,)| | ||
Structure |