6XIH
Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3 character and an exquisite selectivity profile
Summary for 6XIH
Entry DOI | 10.2210/pdb6xih/pdb |
Related | 5UP3 |
Descriptor | Mitogen-activated protein kinase kinase kinase 5, (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide (3 entities in total) |
Functional Keywords | transferase, metal-binding, apoptosis, serine/threonine kinase, metal binding protein |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 67242.81 |
Authors | Dougan, D.R. (deposition date: 2020-06-19, release date: 2020-08-12, Last modification date: 2023-10-18) |
Primary citation | Bigi-Botterill, S.V.,Ivetac, A.,Bradshaw, E.L.,Cole, D.,Dougan, D.R.,Ermolieff, J.,Halkowycz, P.,Johnson, B.,McBride, C.,Pickens, J.,Sabat, M.,Swann, S. Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3character and an exquisite selectivity profile. Bioorg.Med.Chem.Lett., 30:127405-127405, 2020 Cited by PubMed: 32738982DOI: 10.1016/j.bmcl.2020.127405 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.65 Å) |
Structure validation
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