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Target
GTPase KRas [1-169,G12C,C118A]
Ligand
BDBM544069
Substrate
n/a
Meas. Tech.
Coupled Nucleotide Exchange Assay
IC50
19.0±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:
BDBM544069
Synonyms:
(M)-2-[6- Chloro-4- [(2S,5R)-2,5- dimethyl-4- prop-2-enoyl- piperazin-1-yl]- 1-(2-isopropyl- 4-methyl-3- pyridyl)-2-oxo- pyrido[2,3- d]pyrimidin-7- yl]-3-fluoro- benzamide | US11285156, Ex.# 92-24
Type:
Small organic molecule
Emp. Form.:
C32H33ClFN7O3
Mol. Mass.:
618.101
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)-c1c(F)cccc1C(N)=O |r,wU:28.32,wD:24.27,(-3.06,-6.67,;-2.29,-5.33,;-3.77,-4.94,;-.75,-5.33,;.02,-6.67,;1.56,-6.67,;2.33,-5.33,;1.56,-4,;2.33,-2.67,;.02,-4,;-.75,-2.67,;.02,-1.33,;1.56,-1.33,;2.33,,;1.56,1.33,;2.33,2.67,;.02,1.33,;-.75,,;-2.29,,;-3.06,-1.33,;-2.29,-2.67,;-3.06,-4,;-3.06,1.33,;-2.29,2.67,;-3.06,4,;-2.29,5.33,;-4.6,4,;-5.37,2.67,;-4.6,1.33,;-5.37,,;-5.37,5.33,;-4.6,6.67,;-6.91,5.33,;-7.68,6.67,;4.6,,;5.37,1.33,;4.6,2.67,;6.91,1.33,;7.68,,;6.91,-1.33,;5.37,-1.33,;4.6,-2.67,;5.37,-4,;3.06,-2.67,)|
Structure:
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