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Target
GTPase KRas [1-169,G12C,C118A]
Ligand
BDBM544247
Substrate
n/a
Meas. Tech.
Coupled Nucleotide Exchange Assay
IC50
28.0±n/a nM
Citation
 Allen, JG; Lanman, BA; Chen, J; Reed, AB; Cee, VJ; Liu, L; Lopez, P; Wurz, RP; Nguyen, TT; Booker, S; Allen, JR; Chu-Moyer, M; Amegadzie, A; Chen, N; Goodman, C; Low, JD; Ma, VV; Minatti, AE; Nishimura, N; Pickrell, AJ; Wang, H; Shin, Y; Siegmund, AC; Yang, KC; Tamayo, NA; Walton, M; Xue, Q Substituted piperazines as KRAS G12C inhibitors US Patent  US11285156 Publication Date 3/29/2022 
Target
Name:
GTPase KRas [1-169,G12C,C118A]
Synonyms:
GTPase KRas | KRAS | KRAS2 | RASK2 | RASK_HUMAN
Type:
PROTEIN
Mol. Mass.:
19407.24
Organism:
Human
Description:
P01116[1-169,G12C,C118A]
Residue:
169
Sequence:
MTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKADLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLK
  
Inhibitor
Name:
BDBM544247
Synonyms:
6-Chloro-1-(2,4- diisopropyl-3- pyridyl)-4-[(2S,5R)- 2,5-dimethyl-4-prop- 2-enoyl-piperazin-1- yl]-7-[2- (trifluoromethyl) phenyl]pyrido[2,3- d]pyrimidin-2-one | US11285156, Ex.# 124-3
Type:
Small organic molecule
Emp. Form.:
C34H36ClF3N6O2
Mol. Mass.:
653.137
SMILES:
CC(C)c1ccnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1C(F)(F)F |r,wU:30.34,wD:26.29,(4.24,-3.03,;2.7,-3.03,;1.92,-1.7,;1.93,-4.37,;2.7,-5.7,;1.93,-7.03,;.39,-7.03,;-.38,-5.7,;-1.92,-5.7,;-2.69,-4.37,;-2.69,-7.03,;.39,-4.37,;-.91,-2.3,;-.14,-.97,;1.4,-.97,;2.17,.37,;1.4,1.7,;2.17,3.03,;-.14,1.7,;-.91,.37,;-2.45,.37,;-3.22,-.97,;-2.45,-2.3,;-3.22,-3.63,;-3.22,1.7,;-2.45,3.03,;-3.22,4.37,;-2.45,5.7,;-4.76,4.37,;-5.53,3.03,;-4.76,1.7,;-5.53,.37,;-5.53,5.7,;-4.76,7.03,;-7.07,5.7,;-7.84,7.03,;4.76,.37,;5.53,-.97,;7.07,-.97,;7.84,.37,;7.07,1.7,;5.53,1.7,;4.76,3.03,;3.22,3.03,;5.53,4.37,;3.99,4.37,)|
Structure:
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