7JY4

hALK in complex with ((1S,2S)-1-(2,4-difluorophenyl)-2-(2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy)cyclopropyl)methanamine

Summary for 7JY4

• Entry DOI: 10.2210/pdb7jy4/pdb
• Descriptor: ALK tyrosine kinase receptor, 1-{(1S,2S)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine (3 entities in total)
• Functional Keywords: alk tyrosine kinase receptor, inhibitor, complex, kinase, sbdd, transferase-inhibitor complex, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 36892.13

Authors

McGrath, A.P.,Zou, H.,Lane, W.,Saikatendu, K. (deposition date: 2020-08-28, release date: 2021-01-20, Last modification date: 2023-10-18)

• Primary citation: Fujimori, I.,Wakabayashi, T.,Murakami, M.,Okabe, A.,Ishii, T.,McGrath, A.,Zou, H.,Saikatendu, K.S.,Imoto, H.; Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.; Acs Omega, 5:31984-32001, 2020; PubMed: 33344853; DOI: 10.1021/acsomega.0c04900

Experimental method

X-RAY DIFFRACTION (2.42 Å)