4CTB

Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor (5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20- tetrahydro-7,11-(azeno)pyrido(2',1':2,3)imidazo(4,5-h)(2,5,11) benzoxadiazacyclotetradecine-14-carbonitrile

Summary for 4CTB

• Entry DOI: 10.2210/pdb4ctb/pdb
• Related: 4CTC
• Descriptor: ALK TYROSINE KINASE RECEPTOR, (5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile (3 entities in total)
• Functional Keywords: transferase, inhibitor
• Biological source: HOMO SAPIENS (HUMAN)
• Total number of polymer chains: 1
• Total formula weight: 37352.79

Authors

McTigue, M.A.,Deng, Y.L.,Liu, W.,Brooun, A.,Stewart, A.E. (deposition date: 2014-03-12, release date: 2014-05-28, Last modification date: 2023-12-20)

• Primary citation: Johnson, T.W.,Richardson, P.F.,Bailey, S.,Brooun, A.,Burke, B.J.,Collins, M.R.,Cui, J.J.,Deal, J.G.,Deng, Y.L.,Dinh, D.M.,Engstrom, L.D.,He, M.,Hoffman, J.E.,Hoffman, R.L.,Huang, Q.,Kath, J.,Kania, R.S.,Lam, H.,Lam, J.L.,Le, P.T.,Lingardo, L.,Liu, W.,Mctigue, M.A.,Palmer, C.L.,Sach, N.W.,Smeal, T.,Smith, G.L.,Stewart, A.E.,Timofeevski, S.L.,Zhu, H.,Zhu, J.,Zou, H.Y.,Edwards, M.P.; Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.; J.Med.Chem., 57:4720-, 2014; PubMed: 24819116; DOI: 10.1021/JM500261Q

Experimental method

X-RAY DIFFRACTION (1.79 Å)