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Target
GTPase KRas [1-169,G12C,C118A]
Ligand
BDBM544076
Substrate
n/a
Meas. Tech.
Coupled Nucleotide Exchange Assay
IC50
14.0±n/a nM
Citation
 Allen, JG; Lanman, BA; Chen, J; Reed, AB; Cee, VJ; Liu, L; Lopez, P; Wurz, RP; Nguyen, TT; Booker, S; Allen, JR; Chu-Moyer, M; Amegadzie, A; Chen, N; Goodman, C; Low, JD; Ma, VV; Minatti, AE; Nishimura, N; Pickrell, AJ; Wang, H; Shin, Y; Siegmund, AC; Yang, KC; Tamayo, NA; Walton, M; Xue, Q Substituted piperazines as KRAS G12C inhibitors US Patent  US11285156 Publication Date 3/29/2022 
Target
Name:
GTPase KRas [1-169,G12C,C118A]
Synonyms:
GTPase KRas | KRAS | KRAS2 | RASK2 | RASK_HUMAN
Type:
PROTEIN
Mol. Mass.:
19407.24
Organism:
Human
Description:
P01116[1-169,G12C,C118A]
Residue:
169
Sequence:
MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKADLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLK
  
Inhibitor
Name:
BDBM544076
Synonyms:
(M)-7-(2- Amino-4,5- difluoro- phenyl)-6- chloro-4- [(2S,5R)-2,5- dimethyl-4- prop-2-enoyl- piperazin-1-yl]- 1-(2-isopropyl- 4-methyl-3- pyridyl)pyrido [2,3- d]pyrimidin-2- one | US11285156, Ex.# 92-31
Type:
Small organic molecule
Emp. Form.:
C31H32ClF2N7O2
Mol. Mass.:
608.081
SMILES:
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1cc(F)c(F)cc1N |r,wU:28.32,wD:24.27,(-3.47,-6.67,;-2.69,-5.33,;-4.18,-4.94,;-1.15,-5.33,;-.38,-6.67,;1.15,-6.67,;1.93,-5.33,;1.15,-4,;1.93,-2.67,;-.38,-4,;-1.15,-2.67,;-.38,-1.33,;1.15,-1.33,;1.93,,;1.15,1.33,;1.93,2.67,;-.38,1.33,;-1.15,,;-2.69,,;-3.47,-1.33,;-2.69,-2.67,;-3.47,-4,;-3.47,1.33,;-2.69,2.67,;-3.47,4,;-2.69,5.33,;-5,4,;-5.78,2.67,;-5,1.33,;-5.78,,;-5.78,5.33,;-5,6.67,;-7.31,5.33,;-8.08,6.67,;3.47,,;4.23,1.33,;5.78,1.33,;6.54,2.67,;6.54,,;8.08,,;5.78,-1.33,;4.23,-1.33,;3.47,-2.67,)|
Structure:
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