Reaction Details Report a problem with these data
Target
GTPase KRas
Ligand
BDBM50604229
Substrate
n/a
Meas. Tech.
ChEMBL_2247236 (CHEMBL5161446)
Kd
33±n/a nM
Citation
 Li, L; Liu, J; Yang, Z; Zhao, H; Deng, B; Ren, Y; Mai, R; Huang, J; Chen, J Discovery of Thieno[2,3-d]pyrimidine-based KRAS G12D inhibitors as potential anticancer agents via combinatorial virtual screening. Eur J Med Chem 233:0 (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:
BDBM50604229
Synonyms:
CHEMBL5205540
Type:
Small organic molecule
Emp. Form.:
C20H19F3N4OS
Mol. Mass.:
420.451
SMILES:
COc1ccc(cc1-c1cc2c(ncnc2s1)N1CC2CCC(C1)N2)C(F)(F)F |TLB:11:17:24:20.21|
Structure:
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