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Target
GTPase KRas
Ligand
BDBM50503649
Substrate
n/a
Meas. Tech.
ChEMBL_1811382 (CHEMBL4310842)
Ki
200000±n/a nM
Citation
 Chowdhury, SR; Kennedy, S; Zhu, K; Mishra, R; Chuong, P; Nguyen, AU; Kathman, SG; Statsyuk, AV Discovery of covalent enzyme inhibitors using virtual docking of covalent fragments. Bioorg Med Chem Lett 29:36-39 (2019) [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:
BDBM50503649
Synonyms:
CHEMBL4476113
Type:
Small organic molecule
Emp. Form.:
C22H29ClN4O3
Mol. Mass.:
432.944
SMILES:
CC1(CC1)c1cc(NCC(=O)N2CCN(CC2)C2CN(C2)C(=O)C=C)c(O)cc1Cl
Structure:
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