Reaction Details Report a problem with these data
Target
GTPase KRas [1-169,G12D]
Ligand
BDBM550331
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
40.0±n/a nM
Citation
 Lanman, BA; Booker, S; Goodman, C; Reed, AB; Low, JD; Wang, H; Chen, N; Minatti, AE; Wurz, R; Cee, VJ Inhibitors of KRAS G12C and methods of using the same US Patent  US11306087 Publication Date 4/19/2022 
Target
Name:
GTPase KRas [1-169,G12D]
Synonyms:
GTPase KRas (KRAS)(1-169)(G12D) | GTPase KRas [1-169] | KRAS | KRAS2 | RASK2 | RASK_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
19450.24
Organism:
n/a
Description:
aa 1-169
Residue:
169
Sequence:
MTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLK
 
Inhibitor
Name:
BDBM550331
Synonyms:
4-((2S,5R,M)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-6-chloro-7-(2-fluorophenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one | US11306087, Ex. # 1
Type:
Small organic molecule
Emp. Form.:
C31H32ClFN6O2
Mol. Mass.:
575.076
SMILES:
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:28.32,wD:24.27,(-2.79,-4.73,;-1.46,-5.5,;-1.46,-7.04,;-.12,-4.73,;.65,-6.07,;2.19,-6.07,;2.96,-4.73,;2.19,-3.4,;2.96,-2.07,;.65,-3.4,;-.12,-2.07,;.67,-.73,;2.21,-.73,;2.98,.6,;2.21,1.94,;2.98,3.27,;.67,1.94,;-.1,.6,;-1.64,.6,;-2.41,-.73,;-1.64,-2.07,;-2.41,-3.4,;-2.53,1.86,;-1.88,3.26,;-2.76,4.52,;-2.11,5.92,;-4.29,4.39,;-4.95,2.99,;-4.06,1.73,;-4.71,.33,;-5.18,5.65,;-4.53,7.04,;-6.71,5.51,;-7.6,6.77,;4.52,.6,;5.29,-.73,;6.83,-.73,;7.6,.6,;6.83,1.94,;5.29,1.94,;4.52,3.27,)|
Structure:
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