Reaction Details Report a problem with these data
Target
GTPase KRas [G12C]
Ligand
BDBM608968
Substrate
n/a
Meas. Tech.
Scintillation Proximity Assay (SPA)
IC50
33.0±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 
Target
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:
MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM
  
Inhibitor
Name:
BDBM608968
Synonyms:
US11702409, Example 57a | US11702409, Example 57b
Type:
Small organic molecule
Emp. Form.:
C27H26ClN5O2
Mol. Mass.:
487.981
SMILES:
Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(O)cc1)-c1c(Cl)c(C)cc2[nH]ncc12 |(-2.57,-2.29,;-1.11,-1.81,;.14,-2.72,;1.39,-1.81,;.91,-.35,;-.63,-.35,;-1.4,.99,;-2.89,1.39,;-2.49,2.87,;-1,2.48,;-3.98,3.27,;-3.58,4.76,;-2.09,4.36,;-4.67,5.85,;-4.27,7.34,;-6.15,5.45,;-7.24,6.54,;2.85,-2.29,;3.17,-3.79,;4.63,-4.27,;5.78,-3.24,;7.24,-3.71,;5.46,-1.73,;3.99,-1.26,;.14,-4.26,;-1.19,-5.03,;-2.53,-4.26,;-1.19,-6.57,;-2.53,-7.34,;.14,-7.34,;1.47,-6.57,;2.94,-7.04,;3.84,-5.8,;2.94,-4.55,;1.47,-5.03,)|
Structure:
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