7Q7W

JAK2 in complex with 4-(2-{[5-(dimethylamino)pentyl]amino}-8-{[(2S)-1-hydroxypropan-2-yl]amino}quinazolin-6-yl)-5-ethyl-2-fluorophenol

Summary for 7Q7W

• Entry DOI: 10.2210/pdb7q7w/pdb
• Descriptor: Tyrosine-protein kinase JAK2, 4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol (3 entities in total)
• Functional Keywords: jak2, janus kinase 2, signaling protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 37923.90

Authors

Rowland, P. (deposition date: 2021-11-09, release date: 2022-02-02)

• Primary citation: Wellaway, C.R.,Baldwin, I.R.,Bamborough, P.,Barker, D.,Bartholomew, M.A.,Chung, C.W.,Dumpelfeld, B.,Evans, J.P.,Fazakerley, N.J.,Homes, P.,Keeling, S.P.,Lewell, X.Q.,McNab, F.W.,Morley, J.,Needham, D.,Neu, M.,van Oosterhout, A.J.M.,Pal, A.,Reinhard, F.B.M.,Rianjongdee, F.,Robertson, C.M.,Rowland, P.,Shah, R.R.,Sherriff, E.B.,Sloan, L.A.,Teague, S.,Thomas, D.A.,Wellaway, N.,Wojno-Picon, J.,Woolven, J.M.,Coe, D.M.; Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism.; J.Med.Chem., 65:633-664, 2022; PubMed: 34928601; DOI: 10.1021/acs.jmedchem.1c01765

Experimental method

X-RAY DIFFRACTION (1.85 Å)