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Target
GTPase KRas [2-169,G12C,C51S,C80L,C118S]
Ligand
BDBM651000
Substrate
n/a
Meas. Tech.
SOS-Catalyzed Nucleotide Exchange Assay
IC50
2.30±n/a nM
Citation
 Bharathan, I; Gathiaka, S; Han, Y; Ma, X; Otte, RD; Sloman, DL; Graham, TH; Henderson, T; Hennessy, E; Palani, A Small Molecule Inhibitors of KRAS G12C Mutant US Patent  US20240043448 Publication Date 2/8/2024 
Target
Name:
GTPase KRas [2-169,G12C,C51S,C80L,C118S]
Synonyms:
n/a
Type:
Enzyme Catalytic Domain
Mol. Mass.:
19160.36
Organism:
Human sapiens (Human)
Description:
P01116-2[2-169,G12C,C51S,C80L,C118S]
Residue:
168
Sequence:
TEYKLVVVGAGCVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETLLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
  
Inhibitor
Name:
BDBM651000
Synonyms:
2'-[(2S,5R)-2,5-dimethyl-4-(prop- 2-enoyl)piperazin-1-yl]-15',18',21'- trifluoro-6'-(propan-2-yl)-10',11'- dihydro-4'H,13'H- spiro[cyclopropane-1,12'-[14]oxa [3,5,7,20]tetraaza[1,19] (ethanediylidene)pyrido[4,3- f]pyrimido[1,6-h][1,8,10] benzoxadiazacyclotri- decin]-4'-one | US20240043448, Example 61
Type:
Small organic molecule
Emp. Form.:
C36H37F3N6O3
Mol. Mass.:
658.7126
SMILES:
CC(C)c1nccc2CCC3(CC3)COc3c(F)ccc(F)c3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3F |r|
Structure:
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