5FTQ

Crystal structure of the ALK kinase domain in complex with Cmpd 17

Summary for 5FTQ

• Entry DOI: 10.2210/pdb5ftq/pdb
• Related: 5FTO
• Descriptor: ALK TYROSINE KINASE RECEPTOR, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE, GLYCEROL, ... (4 entities in total)
• Functional Keywords: transferase, kinase inhibitors, cancer, drug discovery, alk, trk, ros1, anaplastic large cell lymphoma (alcl), non small cell large cancer (nsclc), neuroblastoma, colorectal cancer (crc)
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Cell membrane ; Single-pass type I membrane protein : Q9UM73
• Total number of polymer chains: 1
• Total formula weight: 36001.37

Authors

Bossi, R.,Canevari, G.,Fasolini, M.,Menichincheri, M.,Ardini, E.,Magnaghi, P.,Avanzi, N.,Banfi, P.,Buffa, L.,Ceriani, L.,Colombo, M.,Corti, L.,Donati, D.,Felder, E.,Fiorelli, C.,Fiorentini, F.,Galvani, A.,Isacchi, A.,Lombardi Borgia, A.,Marchionni, C.,Nesi, M.,Orrenius, C.,Panzeri, A.,Perrone, E.,Pesenti, E.,Rusconi, L.,Saccardo, M.B.,Vanotti, E.,Orsini, P. (deposition date: 2016-01-14, release date: 2016-04-06, Last modification date: 2024-01-10)

• Primary citation: Menichincheri, M.,Ardini, E.,Magnaghi, P.,Avanzi, N.,Banfi, P.,Bossi, R.T.,Buffa, L.,Canevari, G.,Ceriani, L.,Colombo, M.,Corti, L.,Donati, D.,Fasolini, M.,Felder, E.R.,Fiorelli, C.,Fiorentini, F.,Galvani, A.,Isacchi, A.,Borgia, A.L.,Marchionni, C.,Nesi, M.,Orrenius, C.,Panzeri, A.,Pesenti, E.,Rusconi, L.,Saccardo, B.M.,Vanotti, E.,Perrone, E.,Orsini, P.; Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.; J.Med.Chem., 59:3392-, 2016; PubMed: 27003761; DOI: 10.1021/ACS.JMEDCHEM.6B00064

Experimental method

X-RAY DIFFRACTION (1.7 Å)