Reaction Details Report a problem with these data
Target
GTPase KRas
Ligand
BDBM50585381
Substrate
n/a
Meas. Tech.
ChEMBL_2162437 (CHEMBL5047298)
Kd
182±n/a nM
Citation
 Wang, X; Allen, S; Blake, JF; Bowcut, V; Briere, DM; Calinisan, A; Dahlke, JR; Fell, JB; Fischer, JP; Gunn, RJ; Hallin, J; Laguer, J; Lawson, JD; Medwid, J; Newhouse, B; Nguyen, P; O'Leary, JM; Olson, P; Pajk, S; Rahbaek, L; Rodriguez, M; Smith, CR; Tang, TP; Thomas, NC; Vanderpool, D; Vigers, GP; Christensen, JG; Marx, MA Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS J Med Chem 65:3123-3133 (2022) [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:
BDBM50585381
Synonyms:
CHEMBL5080840
Type:
Small organic molecule
Emp. Form.:
C29H31FN6O2
Mol. Mass.:
514.5938
SMILES:
[H][C@]12CC[C@]([H])(CN(C1)c1nc(OC[C@@H]3CCCN3C)nc3c(F)c(ncc13)-c1cc(O)cc3ccccc13)N2 |r|
Structure:
Search PDB for entries with ligand similarity: