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Target
GTPase KRas
Ligand
BDBM50561645
Substrate
n/a
Meas. Tech.
ChEMBL_2075593 (CHEMBL4731127)
Kd
430±n/a nM
Citation
 Ng, S; Juang, YC; Chandramohan, A; Kaan, HYK; Sadruddin, A; Yuen, TY; Ferrer-Gago, FJ; Lee, XC; Liew, X; Johannes, CW; Brown, CJ; Kannan, S; Aronica, PG; Berglund, NA; Verma, CS; Liu, L; Stoeck, A; Sawyer, TK; Partridge, AW; Lane, DP De-risking Drug Discovery of Intracellular Targeting Peptides: Screening Strategies to Eliminate False-Positive Hits. ACS Med Chem Lett 11:1993-2001 (2020) [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:
BDBM50561645
Synonyms:
CHEMBL4760058
Type:
Small organic molecule
Emp. Form.:
C100H160N28O27
Mol. Mass.:
2186.5118
SMILES:
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@]1(C)CCC\C=C\CCC[C@](C)(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(N)=O |r,t:67|
Structure:
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