Reaction Details Report a problem with these data
Target
GTPase KRas
Ligand
BDBM50607574
Substrate
n/a
Meas. Tech.
ChEMBL_2262969 (CHEMBL5217980)
Ki
8600±n/a nM
Citation
 Bröker, J; Waterson, AG; Smethurst, C; Kessler, D; Böttcher, J; Mayer, M; Gmaschitz, G; Phan, J; Little, A; Abbott, JR; Sun, Q; Gmachl, M; Rudolph, D; Arnhof, H; Rumpel, K; Savarese, F; Gerstberger, T; Mischerikow, N; Treu, M; Herdeis, L; Wunberg, T; Gollner, A; Weinstabl, H; Mantoulidis, A; Krämer, O; McConnell, DB; W Fesik, S Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS J Med Chem 65:14614-14629 (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:
BDBM50607574
Synonyms:
CHEMBL5218841
Type:
Small organic molecule
Emp. Form.:
C21H19N5O2S
Mol. Mass.:
405.473
SMILES:
C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1cccc(NC(=O)C=C)c1 |r|
Structure:
Search PDB for entries with ligand similarity: