Reaction Details Report a problem with these data
Target
GTPase KRas
Ligand
BDBM50590848
Substrate
n/a
Meas. Tech.
ChEMBL_2198434 (CHEMBL5110950)
Kd
97±n/a nM
Citation
 Li, L; Zhao, H; Peng, X; Liu, J; Mai, R; Chen, J; Lin, L; Chen, T; Yan, J; Shi, J; Chen, J Discovery of novel Quinazoline-based KRAS G12C inhibitors as potential anticancer agents. Bioorg Med Chem 71:0 (2022) [PubMed] 
Target
Name:
GTPase KRas
Synonyms:
GTPase KRas, N-terminally processed | K-Ras 2 | KRAS | KRAS2 | Ki-Ras | RASK2 | RASK_HUMAN | c-K-ras | c-Ki-ras
Type:
PROTEIN
Mol. Mass.:
21656.10
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1476955
Residue:
189
Sequence:
MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLKKISKEEKTPGCVKIKKCIIM
  
Inhibitor
Name:
BDBM50590848
Synonyms:
CHEMBL5191782
Type:
Small organic molecule
Emp. Form.:
C24H18Cl2FN5O5
Mol. Mass.:
546.335
SMILES:
COc1ccc(Cl)cc1-c1c(Cl)cc2c(ncnc2c1F)N1CCN(CC1)C(=O)c1ccc(o1)[N+]([O-])=O |(-6.36,-2.29,;-5.03,-3.06,;-5.03,-4.6,;-6.36,-5.38,;-6.35,-6.91,;-5.02,-7.68,;-5.02,-9.22,;-3.69,-6.92,;-3.69,-5.38,;-2.35,-4.61,;-2.35,-3.06,;-3.69,-2.29,;-1.02,-2.29,;.31,-3.06,;1.64,-2.29,;2.97,-3.06,;2.98,-4.59,;1.65,-5.37,;.31,-4.6,;-1.02,-5.37,;-1.02,-6.91,;1.64,-.75,;.31,.02,;.31,1.56,;1.64,2.33,;2.97,1.56,;2.97,.02,;1.64,3.87,;.31,4.64,;2.97,4.64,;4.43,4.18,;5.35,5.43,;4.47,6.65,;2.97,6.18,;4.87,8.13,;6.36,8.53,;3.78,9.22,)|
Structure:
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