Summary for 9FHE
Entry DOI | 10.2210/pdb9fhe/pdb |
Descriptor | Ketohexokinase, (2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid (3 entities in total) |
Functional Keywords | kinase, sugar kinase, ketohexokinase, fructokinase, co-structure, sugar binding protein |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 2 |
Total formula weight | 69132.33 |
Authors | |
Primary citation | Heine, N.,Weber, A.,Pautsch, A.,Gottschling, D.,Uphues, I.,Bauer, M.,Ebenhoch, R.,Magarkar, A.,Nosse, B.,Kley, J.T. Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability. Bioorg.Med.Chem.Lett., 112:129930-129930, 2024 Cited by PubMed: 39179180DOI: 10.1016/j.bmcl.2024.129930 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.313 Å) |
Structure validation
Download full validation report