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Target
GTPase KRas [1-169,G12C,C118A]
Ligand
BDBM544002
Substrate
n/a
Meas. Tech.
Coupled Nucleotide Exchange Assay
IC50
30.0±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:
BDBM544002
Synonyms:
6-Chloro-4-[(2S,5R)- 2,5-dimethyl-4-prop- 2-enoyl-piperazin-1- yl]-1-(4-ethyl-2- isopropyl-3-pyridyl)- 7-(2- fluorophenyl)pyrido [2,3-d]pyrimidin-2-one | US11285156, Ex.# 55-58-1 | US11285156, Ex.# 55-58-2
Type:
Small organic molecule
Emp. Form.:
C32H34ClFN6O2
Mol. Mass.:
589.103
SMILES:
CCc1ccnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:29.33,wD:25.28,(4.81,-3.11,;3.27,-3.11,;2.5,-4.44,;3.27,-5.78,;2.5,-7.11,;.96,-7.11,;.19,-5.78,;-1.35,-5.78,;-2.12,-7.11,;-2.12,-4.44,;.96,-4.44,;-.38,-2.23,;.38,-.89,;1.93,-.89,;2.69,.44,;1.93,1.78,;2.69,3.11,;.38,1.78,;-.38,.44,;-1.93,.44,;-2.69,-.89,;-1.93,-2.23,;-2.69,-3.56,;-2.69,1.78,;-1.93,3.11,;-2.69,4.44,;-1.93,5.78,;-4.23,4.44,;-5,3.11,;-4.23,1.78,;-5,.44,;-5,5.78,;-4.23,7.11,;-6.54,5.78,;-7.31,7.11,;4.23,.44,;5,-.89,;6.54,-.89,;7.31,.44,;6.54,1.78,;5,1.78,;4.23,3.11,)|
Structure:
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