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Target
GTPase KRas [1-169,G12C,C118A]
Ligand
BDBM544111
Substrate
n/a
Meas. Tech.
Coupled Nucleotide Exchange Assay
IC50
34.0±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:
Homo sapiens (Human)
Description:
P01116[1-169,G12C,C118A]
Residue:
169
Sequence:
MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKADLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLK
  
Inhibitor
Name:
BDBM544111
Synonyms:
(M)-6-Chloro- 7-(2,3- difluorophenyl)- 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.# 92-66
Type:
Small organic molecule
Emp. Form.:
C31H31ClF2N6O2
Mol. Mass.:
593.067
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)-c1cccc(F)c1F |r,wU:28.32,wD:24.27,(-2.69,-6.67,;-1.93,-5.33,;-3.41,-4.94,;-.38,-5.33,;.38,-6.67,;1.93,-6.67,;2.69,-5.33,;1.93,-4,;2.69,-2.67,;.38,-4,;-.38,-2.67,;.38,-1.33,;1.93,-1.33,;2.69,,;1.93,1.33,;2.69,2.67,;.38,1.33,;-.38,,;-1.93,,;-2.69,-1.33,;-1.93,-2.67,;-2.69,-4,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;4.23,,;5,-1.33,;6.54,-1.33,;7.31,,;6.54,1.33,;7.31,2.67,;5,1.33,;4.23,2.67,)|
Structure:
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