Reaction Details Report a problem with these data
Target
GTPase KRas [2-169,G12C,C51S,C80L,C118S]
Ligand
BDBM651004
Substrate
n/a
Meas. Tech.
SOS-Catalyzed Nucleotide Exchange Assay
IC50
2.60±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:
BDBM651004
Synonyms:
12,12,17,18,21-pentafluoro-6- (propan-2-yl)-2-[4-(prop-2- enoyl)piperazin-1-yl]-10,11,12,13- tetrahydro-4H-1,19- (ethanediylidene)pyrido[4,3- f]pyrimido[1,6-h][1,8,10] benzoxadiazacyclotri- decin-4-one | US20240043448, Example 65
Type:
Small organic molecule
Emp. Form.:
C32H29F5N6O3
Mol. Mass.:
640.6031
SMILES:
CC(C)c1nccc2CCC(F)(F)COc3ccc(F)c(F)c3-c3nc4n(-c12)c(=O)nc(N1CCN(CC1)C(=O)C=C)c4cc3F
Structure:
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