Reaction Details Report a problem with these data
Target
GTPase KRas [1-169,G12D]
Ligand
BDBM550335
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
79.0±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:
BDBM550335
Synonyms:
4-((2S,5R,M)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one | US11306087, Ex. # 5
Type:
Small organic molecule
Emp. Form.:
C31H32F2N6O3
Mol. Mass.:
574.621
SMILES:
CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:28.32,wD:24.27,(-5.82,-7.11,;-5.05,-5.78,;-5.82,-4.44,;-3.51,-5.78,;-3.51,-7.31,;-2.18,-8.08,;-.85,-7.31,;-.85,-5.78,;.49,-5,;-2.18,-5,;-2.18,-3.47,;-.85,-2.69,;.49,-3.47,;1.82,-2.69,;1.82,-1.15,;3.16,-.38,;.49,-.38,;-.85,-1.15,;-2.18,-.38,;-3.51,-1.15,;-3.51,-2.69,;-4.85,-3.47,;-2.18,1.15,;-.85,1.93,;-.85,3.47,;.49,4.23,;-2.18,4.23,;-3.51,3.47,;-3.51,1.93,;-4.85,1.15,;-2.18,5.78,;-3.51,6.54,;-.85,6.54,;-.85,8.08,;3.16,-3.47,;3.16,-5,;1.82,-5.78,;4.49,-5.78,;5.82,-5,;5.82,-3.47,;4.49,-2.69,;4.49,-1.15,)|
Structure:
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