Reaction Details Report a problem with these data
Target
GTPase KRas [1-169,G12D]
Ligand
BDBM550337
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
49.0±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:
BDBM550337
Synonyms:
4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-6-chloro-1-(4,6-diisopropylpyrimidin-5-yl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2(1H)-one | US11306087, Ex. # 7
Type:
Small organic molecule
Emp. Form.:
C32H35ClFN7O2
Mol. Mass.:
604.117
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)-c1ccccc1F |r,wU:30.34,wD:26.29,(2,-5.78,;.67,-5.01,;2.15,-4.61,;-.67,-5.78,;-.67,-7.32,;-2,-8.08,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-5.01,;-6,-5.78,;-6,-4.24,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;3.33,-.39,;.67,-.39,;-.67,-1.16,;-2,-.39,;-3.33,-1.16,;-3.33,-2.7,;-4.67,-3.47,;-2,1.15,;-.67,1.92,;-.67,3.46,;.67,4.23,;-2,4.23,;-3.33,3.46,;-3.33,1.92,;-4.67,1.15,;-2,5.77,;-.67,6.54,;-3.33,6.54,;-3.33,8.08,;3.33,-3.47,;3.33,-5.01,;4.67,-5.78,;6,-5.01,;6,-3.47,;4.67,-2.7,;4.67,-1.16,)|
Structure:
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