Reaction Details | |||
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Target | GTPase KRas [1-169,G12D] | ||
Ligand | BDBM550336 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Biochemical Assay | ||
IC50 | 38.0±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 | ||
More Info.: | Get all data from this article, Assay Method | ||
GTPase KRas [1-169,G12D] | |||
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: |
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BDBM550336 | |||
n/a | |||
Name | BDBM550336 | ||
Synonyms: | 4-((2S,5R,M)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-7-(2-amino-6-fluorophenyl)-6-fluoro-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidin-2(1H)-one | US11306087, Ex. # 6 | ||
Type | Small organic molecule | ||
Emp. Form. | C31H33F2N7O2 | ||
Mol. Mass. | 573.6362 | ||
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(N)cccc1F |r,wU:28.32,wD: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,;-1.25,1.92,;-1.25,3.46,;.08,4.23,;-2.58,4.23,;-3.92,3.46,;-3.92,1.92,;-5.25,1.15,;-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 |