Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T07173 | Target Info | |||
| Target Name | Tropomyosin-related kinase A (TrkA) | ||||
| Synonyms | gp140trk; Tyrosine kinase receptor A; Tyrosine kinase receptor; Trk-A; TRKA; TRK1-transforming tyrosine kinase protein; TRK1 transforming tyrosinekinase protein; TRK; P140-TrkA; Neurotrophic tyrosine kinase receptor type 1; NGF-trk receptor type A; MTC; High affinity nerve growth factor receptor | ||||
| Target Type | Successful Target | ||||
| Gene Name | NTRK1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one | Ligand Info | |||
| Canonical SMILES | C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC=N3 | ||||
| InChI | 1S/C12H8N2OS/c15-11-10-9(8-4-2-1-3-5-8)6-16-12(10)14-7-13-11/h1-7H,(H,13,14,15) | ||||
| InChIKey | OLGMRBGIXZANNV-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 215639 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6DKI Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 19. | ||||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [1] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKEA549 SESARQDFQR 559 EAELLTMLQH569 QHIVRFFGVC579 TEGRPLLMVF589 EYMRHGDLNR599 FLRSHGPDGP 621 LGLGQLLAVA631 SQVAAGMVYL641 AGLHFVHRDL651 ATRNCLVGQG661 LVVKIGDFGR 673 DIYSTDYYRT687 MLPIRWMPPE697 SILYRKFTTE707 SDVWSFGVVL717 WEIFTYGKQP 727 WYQLSNTEAI737 DCITQGRELE747 RPRACPPEVY757 AIMRGCWQRE767 PQQRHSIKDV 777 HARLQALAQA787 PPVYLDVLG
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| PDB ID: 6DKG Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 13b. | ||||||
| Method | X-ray diffraction | Resolution | 2.53 Å | Mutation | No | [1] |
| PDB Sequence |
ACVHHIKRRD
509 IVLKWELGEG519 AFGKVFLAEC529 HNLLPEQDKM539 LVAVKALKEA549 SESARQDFQR 559 EAELLTMLQH569 QHIVRFFGVC579 TEGRPLLMVF589 EYMRHGDLNR599 FLRSHGPDGP 621 LGLGQLLAVA631 SQVAAGMVYL641 AGLHFVHRDL651 ATRNCLVGQG661 LVVKIGDFGY 676 STDYYRTMLP690 IRWMPPESIL700 YRKFTTESDV710 WSFGVVLWEI720 FTYGKQPWYQ 730 LSNTEAIDCI740 TQGRELERPR750 ACPPEVYAIM760 RGCWQREPQQ770 RHSIKDVHAR 780 LQALAQAPPV790 YLDVLG
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain. J Med Chem. 2018 Aug 9;61(15):6779-6800. | ||||
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