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Target
GTPase KRas
Ligand
BDBM50579091
Substrate
n/a
Meas. Tech.
ChEMBL_2134549 (CHEMBL4844159)
Kd
1600±n/a nM
Citation
 Buyanova, M; Cai, S; Cooper, J; Rhodes, C; Salim, H; Sahni, A; Upadhyaya, P; Yang, R; Sarkar, A; Li, N; Wang, QE; Pei, D Discovery of a Bicyclic Peptidyl Pan-Ras Inhibitor. J Med Chem 64:13038-13053 (2021) [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:
BDBM50579091
Synonyms:
CHEMBL4849311
Type:
Small organic molecule
Emp. Form.:
C86H105N21O16
Mol. Mass.:
1688.885
SMILES:
CC(C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r|
Structure:
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