6PMC
TRK-A IN COMPLEX WITH LIGAND 1a
Summary for 6PMC
| Entry DOI | 10.2210/pdb6pmc/pdb |
| Related | 6PMA 6PMB |
| Descriptor | High affinity nerve growth factor receptor, N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide (3 entities in total) |
| Functional Keywords | trk-a kinase domain, transferase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 35881.64 |
| Authors | Subramanian, G.,Brown, D.G. (deposition date: 2019-07-01, release date: 2020-02-26, Last modification date: 2024-10-30) |
| Primary citation | Subramanian, G.,Vairagoundar, R.,Bowen, S.J.,Roush, N.,Zachary, T.,Javens, C.,Williams, T.,Janssen, A.,Gonzales, A. Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA). Rsc Med Chem, 11:370-377, 2020 Cited by PubMed Abstract: virtual screening followed by biochemical, biophysical, and cellular screening resulted in the identification of distinctly different TrkA kinase domain inhibitor scaffolds. X-ray structural analysis of representative inhibitors bound to TrkA kinase domain defined the binding mode and rationalized the mechanism of action. Preliminary assessment of the sub-type selectivity against the closest TrkB isoform, and early ADME guided the progression of select inhibitor leads in the screening cascade. The possibility of the actives sustaining to known TrkA resistance mutations assessed offers initial guidance into the required multiparametric lead optimization to arrive at a clinical candidate. PubMed: 33479642DOI: 10.1039/c9md00554d PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.19 Å) |
Structure validation
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