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Target
GTPase KRas [1-169,G12C,C118A]
Ligand
BDBM544207
Substrate
n/a
Meas. Tech.
Coupled Nucleotide Exchange Assay
IC50
26.0±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:
BDBM544207
Synonyms:
US11285156, Ex.# 107-1
Type:
Small organic molecule
Emp. Form.:
C33H38ClFN8O2
Mol. Mass.:
633.159
SMILES:
CNc1nc(C(C)C)c(c(n1)C(C)C)-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:32.36,wD:28.31,(4.95,-25.93,;5.72,-24.6,;4.95,-23.26,;5.72,-21.93,;4.95,-20.6,;5.72,-19.26,;7.26,-19.26,;4.95,-17.93,;3.41,-20.6,;2.64,-21.93,;3.41,-23.26,;1.1,-21.93,;.33,-23.26,;.33,-20.6,;2.35,-18.76,;3.12,-17.43,;4.66,-17.43,;5.43,-16.1,;4.66,-14.76,;5.43,-13.43,;3.12,-14.76,;2.35,-16.1,;.81,-16.1,;.04,-17.43,;.81,-18.76,;.04,-20.1,;.04,-14.76,;.81,-13.43,;.04,-12.1,;.81,-10.76,;-1.5,-12.1,;-2.27,-13.43,;-1.5,-14.76,;-2.27,-16.1,;-2.27,-10.76,;-1.5,-9.43,;-3.81,-10.76,;-4.58,-9.43,;6.97,-16.1,;7.74,-17.43,;9.28,-17.43,;10.05,-16.1,;9.28,-14.76,;7.74,-14.76,;6.97,-13.43,)|
Structure:
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