Pub. Date : 2017 Feb
PMID : 27056562
6 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | ATP-binding cavity with critical residues involved in the LMTK3 phosphorylation was used as target site for the screening. | Adenosine Triphosphate | lemur tyrosine kinase 3 | Homo sapiens |
| 2 | The evaluation of ligands was carried out by binding energy and weak interactions, such as hydrogen bond interactions and hydrophobic contacts, in the target site that favors LMTK3 inhibition. | Hydrogen | lemur tyrosine kinase 3 | Homo sapiens |
| 3 | In addition, binding free energy of the LMTK3-ligand complexes were calculated by MM/PBSA methods and results supported the strong binding in dynamic system. | poly(tetramethylene succinate-co-tetramethylene adipate) | lemur tyrosine kinase 3 | Homo sapiens |
| 4 | Thus, the computational studies illustrated the structural insights on LMTK3 inhibition mechanism by ligands ZINC04670539, ZINC05607079 and ZINC04344028, also proposed as potent lead candidates. | zinc04670539 | lemur tyrosine kinase 3 | Homo sapiens |
| 5 | Thus, the computational studies illustrated the structural insights on LMTK3 inhibition mechanism by ligands ZINC04670539, ZINC05607079 and ZINC04344028, also proposed as potent lead candidates. | zinc05607079 | lemur tyrosine kinase 3 | Homo sapiens |
| 6 | Thus, the computational studies illustrated the structural insights on LMTK3 inhibition mechanism by ligands ZINC04670539, ZINC05607079 and ZINC04344028, also proposed as potent lead candidates. | zinc04344028 | lemur tyrosine kinase 3 | Homo sapiens |