Reaction Details Report a problem with these data
Target
GTPase KRas [1-169,G12D]
Ligand
BDBM550345
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
14.0±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:
BDBM550345
Synonyms:
(M)-4-(4-Acryloyl-cis-3,5-dimethylpiperazin-1-yl)-7-(2-amino-6-fluorophenyl)-6-chloro-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one | US11306087, Ex. # 15
Type:
Small organic molecule
Emp. Form.:
C31H33ClFN7O2
Mol. Mass.:
590.091
SMILES:
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(N)cccc1F |r,wD:27.30,24.27,(-6.23,-7.11,;-5.46,-5.78,;-6.23,-4.44,;-3.92,-5.78,;-3.92,-7.32,;-2.58,-8.08,;-1.25,-7.32,;-1.25,-5.78,;.08,-5.01,;-2.58,-5.01,;-2.58,-3.47,;-1.25,-2.7,;.08,-3.47,;1.42,-2.7,;1.42,-1.16,;2.75,-.39,;.08,-.39,;-1.25,-1.16,;-2.58,-.39,;-3.92,-1.16,;-3.92,-2.7,;-5.25,-3.47,;-2.58,1.15,;-3.92,1.92,;-3.92,3.46,;-5.25,4.23,;-2.58,4.23,;-1.25,3.46,;.08,4.23,;-1.25,1.92,;-2.58,5.77,;-3.92,6.54,;-1.25,6.54,;-1.25,8.08,;3.56,-3.93,;3.56,-5.47,;2.23,-6.24,;4.89,-6.24,;6.23,-5.47,;6.23,-3.93,;4.89,-3.16,;4.89,-1.62,)|
Structure:
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