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Target
GTPase KRas [1-169,G12C,C118A]
Ligand
BDBM544386
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:
Human
Description:
P01116[1-169,G12C,C118A]
Residue:
169
Sequence:
MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKADLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLK
  
Inhibitor
Name:
BDBM544386
Synonyms:
4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-6-chloro-1-(2-fluoro-4isopropyl-6-methylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2(1H)-one, Single Isomer | US11285156, Ex.# 200
Type:
Small organic molecule
Emp. Form.:
C30H30ClF2N7O2
Mol. Mass.:
594.055
SMILES:
CC(C)c1nc(F)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,-20.14,;1.11,-20.91,;1.11,-22.45,;2.44,-20.14,;3.21,-21.47,;4.75,-21.47,;5.52,-22.8,;5.52,-20.14,;4.75,-18.8,;5.52,-17.47,;3.21,-18.8,;2.44,-17.47,;3.21,-16.14,;4.75,-16.14,;5.52,-14.8,;4.75,-13.47,;5.52,-12.13,;3.21,-13.47,;2.44,-14.8,;.9,-14.8,;.13,-16.14,;.9,-17.47,;.13,-18.8,;.13,-13.47,;.9,-12.13,;.13,-10.8,;.9,-9.47,;-1.41,-10.8,;-2.18,-12.13,;-1.41,-13.47,;-2.18,-14.8,;-2.18,-9.47,;-1.41,-8.13,;-3.72,-9.47,;-4.49,-8.13,;7.06,-14.8,;7.83,-16.14,;9.37,-16.14,;10.14,-14.8,;9.37,-13.47,;7.83,-13.47,;7.06,-12.13,)|
Structure:
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