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Target
GTPase KRas [1-169,G12C,C118A]
Ligand
BDBM544107
Substrate
n/a
Meas. Tech.
Coupled Nucleotide Exchange Assay
IC50
10.00±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:
BDBM544107
Synonyms:
(M)-6-Chloro- 4-[(2S,5R)-2,5- dimethyl-4- prop-2-enoyl- piperazin-1-yl]- 7-(3-fluoro-2- methoxy- phenyl)-1-(2- isopropyl-4- methyl-3- pyridyl)pyrido [2,3- d]pyrimidin-2- one | US11285156, Ex.# 92-62
Type:
Small organic molecule
Emp. Form.:
C32H34ClFN6O3
Mol. Mass.:
605.102
SMILES:
COc1c(F)cccc1-c1nc2n(-c3c(C)ccnc3C(C)C)c(=O)nc(N3C[C@@H](C)N(C[C@@H]3C)C(=O)C=C)c2cc1Cl |r,wU:33.36,wD:29.31,(5,4,;4.23,2.67,;5,1.33,;6.54,1.33,;7.31,2.67,;7.31,,;6.54,-1.33,;5,-1.33,;4.23,,;2.69,,;1.93,-1.33,;.38,-1.33,;-.38,-2.67,;.38,-4,;1.93,-4,;2.69,-2.67,;2.69,-5.33,;1.93,-6.67,;.38,-6.67,;-.38,-5.33,;-1.93,-5.33,;-2.69,-6.67,;-3.41,-4.94,;-1.93,-2.67,;-2.69,-4,;-2.69,-1.33,;-1.93,,;-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,;-.38,,;.38,1.33,;1.93,1.33,;2.69,2.67,)|
Structure:
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