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-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1C2=CSC3=C2C(=O)NC=N3)F | ||||
| InChI | 1S/C12H7FN2OS/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(16)14-6-15-12/h1-6H,(H,14,15,16) | ||||
| InChIKey | DARIIFLATJJEOB-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 727600 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6D1Z Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [1] |
| PDB Sequence |
GSGLQGHIIE
492 CVHHIKRRDI510 VLKWELGEGA520 FGKVFLAECH530 NLLPEQDKML540 VAVKALKEAS 550 ESARQDFQRE560 AELLTMLQHQ570 HIVRFFGVCT580 EGRPLLMVFE590 YMRHGDLNRF 600 LRSHGPDGPL622 GLGQLLAVAS632 QVAAGMVYLA642 GLHFVHRDLA652 TRNCLVGQGL 662 VVKIGDFGMS672 RDIYSTDYYR682 TMLPIRWMPP696 ESILYRKFTT706 ESDVWSFGVV 716 LWEIFTYGKQ726 PWYQLSNTEA736 IDCITQGREL746 ERPRACPPEV756 YAIMRGCWQR 766 EPQQRHSIKD776 VHARLQALAQ786 APPVYLDVLG796
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| PDB ID: 6D20 Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one and 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide Inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [1] |
| PDB Sequence |
KGSGLQGHII
491 ENACVHHIKR507 RDIVLKWELG517 EGAFGKVFLA527 ECHNLLPEQD537 KMLVAVKALK 547 EASESARQDF557 QREAELLTML567 QHQHIVRFFG577 VCTEGRPLLM587 VFEYMRHGDL 597 NRFLRSHGPD607 AGPLGLGQLL628 AVASQVAAGM638 VYLAGLHFVH648 RDLATRNCLV 658 GQGLVVKIGD668 FGMSRDIYST678 DYYRVGTMLP690 IRWMPPESIL700 YRKFTTESDV 710 WSFGVVLWEI720 FTYGKQPWYQ730 LSNTEAIDCI740 TQGRELERPR750 ACPPEVYAIM 760 RGCWQREPQQ770 RHSIKDVHAR780 LQALAQAPPV790 YLDVLG
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors. J Med Chem. 2019 Jan 10;62(1):247-265. | ||||
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