7Z5W

ROS1 with AstraZeneca ligand 1

Summary for 7Z5W

• Entry DOI: 10.2210/pdb7z5w/pdb
• Descriptor: Proto-oncogene tyrosine-protein kinase ROS, ~{N}-[6-methyl-2-[(2~{S})-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine, SULFATE ION, ... (4 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: 76335.01

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; PubMed: 35920716; DOI: 10.1021/acs.jcim.2c00644

Experimental method

X-RAY DIFFRACTION (2.254 Å)