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Target
GTPase KRas [1-169,G12D]
Ligand
BDBM550338
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
136±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:
BDBM550338
Synonyms:
4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-6-chloro-1-(4,6-diisopropylpyrimidin-5-yl)-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2(1H)-one | US11306087, Ex. # 11 | US11306087, Ex. # 8
Type:
Small organic molecule
Emp. Form.:
C32H35ClFN7O3
Mol. Mass.:
620.117
SMILES:
CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:30.34,wD:26.29,(1.8,-5.01,;.26,-5.01,;1.35,-3.92,;-1.07,-5.78,;-1.07,-7.32,;-2.4,-8.08,;-3.74,-7.32,;-3.74,-5.78,;-5.07,-5.01,;-6.41,-5.78,;-6.41,-4.24,;-2.4,-5.01,;-2.4,-3.47,;-1.07,-2.7,;.26,-3.47,;1.6,-2.7,;1.6,-1.16,;2.93,-.39,;.26,-.39,;-1.07,-1.16,;-2.4,-.39,;-3.74,-1.16,;-3.74,-2.7,;-5.07,-3.47,;-2.4,1.15,;-1.07,1.92,;-1.07,3.46,;.26,4.23,;-2.4,4.23,;-3.74,3.46,;-3.74,1.92,;-5.07,1.15,;-2.4,5.77,;-1.07,6.54,;-3.74,6.54,;-3.74,8.08,;3.74,-3.93,;3.74,-5.47,;2.4,-6.24,;5.07,-6.24,;6.41,-5.47,;6.41,-3.93,;5.07,-3.16,;5.07,-1.62,)|
Structure:
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