Reaction Details Report a problem with these data
Target
GTPase KRas
Ligand
BDBM50579589
Substrate
n/a
Meas. Tech.
ChEMBL_2135936 (CHEMBL4845546)
IC50
1.9±n/a nM
Citation
 Kargbo, RB Targeting KRAS Mutant Protein Inhibitor for Potential Treatment in Cancer. ACS Med Chem Lett 12:1633-1634 (2021) [PubMed]  Article 
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:
BDBM50579589
Synonyms:
CHEMBL4859820
Type:
Small organic molecule
Emp. Form.:
C31H27Cl3FN7O2
Mol. Mass.:
654.949
SMILES:
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(N2CCN(CC2)C(=O)C=C)c(C#N)c1=O)-c1c(N)c(Cl)cc(Cl)c1F |(68.65,-18.49,;67.31,-17.72,;67.3,-16.18,;65.98,-18.5,;65.98,-20.05,;64.65,-20.82,;63.31,-20.05,;63.32,-18.51,;61.98,-17.74,;64.64,-17.74,;64.64,-14.97,;63.31,-14.21,;61.98,-14.98,;60.65,-14.21,;60.64,-12.68,;59.3,-11.92,;61.96,-11.9,;63.31,-12.67,;64.64,-11.89,;64.63,-10.35,;65.98,-9.59,;65.98,-8.05,;64.65,-7.28,;63.31,-8.05,;63.31,-9.59,;64.65,-5.74,;63.32,-4.97,;65.98,-4.97,;65.99,-3.43,;65.97,-12.67,;67.3,-11.9,;68.63,-11.13,;65.97,-14.21,;67.31,-14.98,;59.32,-14.99,;57.99,-14.22,;57.98,-12.68,;56.66,-15,;55.32,-14.23,;56.66,-16.54,;57.99,-17.31,;57.99,-18.85,;59.33,-16.54,;60.66,-17.31,)|
Structure:
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