6RSR

TBK1 in complex with compound 2

Summary for 6RSR

• Entry DOI: 10.2210/pdb6rsr/pdb
• Descriptor: Serine/threonine-protein kinase TBK1, ~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide (2 entities in total)
• Functional Keywords: kinase, innate immunity, small molecule inhibitor, immune system
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 76683.57

Authors

Panne, D.,Hillig, R.C.,Rengachari, S. (deposition date: 2019-05-22, release date: 2020-01-01, Last modification date: 2020-02-05)

• Primary citation: Lefranc, J.,Schulze, V.K.,Hillig, R.C.,Briem, H.,Prinz, F.,Mengel, A.,Heinrich, T.,Balint, J.,Rengachari, S.,Irlbacher, H.,Stockigt, D.,Bomer, U.,Bader, B.,Gradl, S.N.,Nising, C.F.,von Nussbaum, F.,Mumberg, D.,Panne, D.,Wengner, A.M.; Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.; J.Med.Chem., 63:601-612, 2020; PubMed: 31859507; DOI: 10.1021/acs.jmedchem.9b01460

Experimental method

X-RAY DIFFRACTION (3.15 Å)