6RNA

RIP2 Kinase Catalytic Domain complex with 2({4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl}oxy)ethan1ol

Summary for 6RNA

• Entry DOI: 10.2210/pdb6rna/pdb
• Related: 6RN8
• Descriptor: Receptor-interacting serine/threonine-protein kinase 2, 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol (3 entities in total)
• Functional Keywords: kinase, structure based drug discovery, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 72283.06

Authors

Convery, M.A.,Haile, P.A. (deposition date: 2019-05-08, release date: 2019-07-17, Last modification date: 2024-01-24)

• Primary citation: Haile, P.A.,Casillas, L.N.,Votta, B.J.,Wang, G.Z.,Charnley, A.K.,Dong, X.,Bury, M.J.,Romano, J.J.,Mehlmann, J.F.,King, B.W.,Erhard, K.F.,Hanning, C.R.,Lipshutz, D.B.,Desai, B.M.,Capriotti, C.A.,Schaeffer, M.C.,Berger, S.B.,Mahajan, M.K.,Reilly, M.A.,Nagilla, R.,Rivera, E.J.,Sun, H.H.,Kenna, J.K.,Beal, A.M.,Ouellette, M.T.,Kelly, M.,Stemp, G.,Convery, M.A.,Vossenkamper, A.,MacDonald, T.T.,Gough, P.J.,Bertin, J.,Marquis, R.W.; Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases.; J.Med.Chem., 62:6482-6494, 2019; PubMed: 31265286; DOI: 10.1021/acs.jmedchem.9b00575

Experimental method

X-RAY DIFFRACTION (2.62 Å)