Reaction Details Report a problem with these data
Target
GTPase KRas
Ligand
BDBM50610334
Substrate
n/a
Meas. Tech.
ChEMBL_2280741
EC50
320±n/a nM
Citation
 Zhang, X; Zhao, T; Sun, M; Li, P; Lai, M; Xie, L; Chen, J; Ding, J; Xie, H; Zhou, J; Zhang, H Design, synthesis and biological evaluation of KRAS Bioorg Med Chem 78:0 (2023) [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:
BDBM50610334
Synonyms:
CHEMBL5174597
Type:
Small organic molecule
Emp. Form.:
C59H71ClFN11O7S
Mol. Mass.:
1132.781
SMILES:
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCCN2CCC[C@H]2COc2nc3CN(CCc3c(n2)N2CCN([C@@H](CC#N)C2)C(=O)C(F)=C)c2cccc3cccc(Cl)c23)C(C)(C)C)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: