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Target
GTPase KRas [1-169,G12C,C118A]
Ligand
BDBM544382
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:
Human
Description:
P01116[1-169,G12C,C118A]
Residue:
169
Sequence:
MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKADLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLK
  
Inhibitor
Name:
BDBM544382
Synonyms:
4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-1-(2-bromo-4-isopropyl-6-methylpyrimidin-5-yl)-6-chloro-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2(1H)-one, Single Isomer | US11285156, Ex.# 197-1 | US11285156, Ex.# 197-2
Type:
Small organic molecule
Emp. Form.:
C30H30BrClFN7O2
Mol. Mass.:
654.96
SMILES:
CC(C)c1nc(Br)nc(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,(-.23,-19.81,;1.11,-20.58,;1.11,-22.12,;2.44,-19.81,;3.21,-21.15,;4.75,-21.15,;5.52,-22.48,;5.52,-19.81,;4.75,-18.48,;5.52,-17.14,;3.21,-18.48,;2.44,-17.14,;3.21,-15.81,;4.75,-15.81,;5.52,-14.48,;4.75,-13.14,;5.52,-11.81,;3.21,-13.14,;2.44,-14.48,;.9,-14.48,;.13,-15.81,;.9,-17.14,;.13,-18.48,;.13,-13.14,;.9,-11.81,;.13,-10.48,;.9,-9.14,;-1.41,-10.48,;-2.18,-11.81,;-1.41,-13.14,;-2.18,-14.48,;-2.18,-9.14,;-1.41,-7.81,;-3.72,-9.14,;-4.49,-7.81,;7.06,-14.48,;7.83,-15.81,;9.37,-15.81,;10.14,-14.48,;9.37,-13.14,;7.83,-13.14,;7.06,-11.81,)|
Structure:
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