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Target
GTPase KRas [1-169,G12C,C118A]
Ligand
BDBM544368
Substrate
n/a
Meas. Tech.
Coupled Nucleotide Exchange Assay
IC50
38.0±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:
BDBM544368
Synonyms:
N-[5-[6-Chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoyl-piperazin-1-yl]-7-(2-fluorophenyl)-2-oxo-pyrido[2,3-d]pyrimidin-1-yl]-4,6-diisopropyl-pyrimidin-2-yl]acetamide | US11285156, Ex.# 188
Type:
Small organic molecule
Emp. Form.:
C40H44ClFN8O3
Mol. Mass.:
739.281
SMILES:
COc1ccc(CNc2nc(C(C)C)c(c(n2)C(C)C)-n2c3nc(c(Cl)cc3c(nc2=O)N2C[C@@H](C)N(C[C@@H]2C)C(=O)C=C)-c2ccccc2F)cc1 |r,wU:38.42,wD:34.37,(5.52,-13.34,;3.98,-13.34,;3.21,-12,;1.67,-12,;.9,-10.67,;1.67,-9.33,;.9,-8,;1.67,-6.67,;.9,-5.33,;-.67,-5.29,;-1.44,-3.95,;-2.98,-3.95,;-3.75,-5.29,;-3.75,-2.62,;-.67,-2.62,;.87,-2.62,;1.64,-3.95,;1.64,-1.29,;.87,.05,;3.18,-1.29,;-1.98,-.29,;-1.21,1.04,;.33,1.04,;1.1,2.38,;.33,3.71,;1.1,5.05,;-1.21,3.71,;-1.98,2.38,;-3.52,2.38,;-4.29,1.04,;-3.52,-.29,;-4.29,-1.62,;-4.29,3.71,;-3.52,5.05,;-4.29,6.38,;-3.52,7.71,;-5.83,6.38,;-6.6,5.05,;-5.83,3.71,;-6.6,2.38,;-6.6,7.71,;-5.83,9.05,;-8.14,7.71,;-8.91,9.05,;2.64,2.38,;3.41,1.04,;4.95,1.04,;5.72,2.38,;4.95,3.71,;3.41,3.71,;2.64,5.05,;3.21,-9.33,;3.98,-10.67,)|
Structure:
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