Reaction Details Report a problem with these data
Target
GTPase KRas
Ligand
BDBM50539763
Substrate
n/a
Meas. Tech.
ChEMBL_2231968 (CHEMBL5145740)
Ki
3700±n/a nM
Citation
 Zheng, Q; Peacock, DM; Shokat, KM Drugging the Next Undruggable KRAS Allele-Gly12Asp. J Med Chem 65:3119-3122 (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:
BDBM50539763
Synonyms:
Adagrasib | Mrtx-849 | Mrtx849
Type:
Small organic molecule
Emp. Form.:
C32H35ClFN7O2
Mol. Mass.:
604.117
SMILES:
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C(F)=C)c1cccc2cccc(Cl)c12
Structure:
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