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: 2024-05-15) |
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 Cited by PubMed: 31859507DOI: 10.1021/acs.jmedchem.9b01460 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3.15 Å) |
Structure validation
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