7Z5X
ROS1 with AstraZeneca ligand 2
Summary for 7Z5X
Entry DOI | 10.2210/pdb7z5x/pdb |
Descriptor | Proto-oncogene tyrosine-protein kinase ROS, (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol (3 entities in total) |
Functional Keywords | virtual screening, potent selective, ros1, kinase inhibitors, transferase |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 2 |
Total formula weight | 76246.98 |
Authors | Hargreaves, D. (deposition date: 2022-03-10, release date: 2022-08-17, Last modification date: 2024-01-31) |
Primary citation | Petrovic, D.,Scott, J.S.,Bodnarchuk, M.S.,Lorthioir, O.,Boyd, S.,Hughes, G.M.,Lane, J.,Wu, A.,Hargreaves, D.,Robinson, J.,Sadowski, J. Virtual Screening in the Cloud Identifies Potent and Selective ROS1 Kinase Inhibitors. J.Chem.Inf.Model., 62:3832-3843, 2022 Cited by PubMed: 35920716DOI: 10.1021/acs.jcim.2c00644 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.035 Å) |
Structure validation
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