6EVR
Crystal structure of human carbonic anhydrase I in complex with the 4-(4 acetyl-3-benzylpiperazine-1 carbonyl)benzene-1-sulfonamide inhibitor
Summary for 6EVR
Entry DOI | 10.2210/pdb6evr/pdb |
Descriptor | Carbonic anhydrase 1, ZINC ION, 4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, ... (6 entities in total) |
Functional Keywords | inhibitor, complex, lyase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 58989.38 |
Authors | Ferraroni, M.,Supuran, C.T.,Chiapponi, D.,Chiaramonte, N. (deposition date: 2017-11-02, release date: 2018-06-06, Last modification date: 2024-01-17) |
Primary citation | Chiaramonte, N.,Bua, S.,Ferraroni, M.,Nocentini, A.,Bonardi, A.,Bartolucci, G.,Durante, M.,Lucarini, L.,Chiapponi, D.,Dei, S.,Manetti, D.,Teodori, E.,Gratteri, P.,Masini, E.,Supuran, C.T.,Romanelli, M.N. 2-Benzylpiperazine: A new scaffold for potent human carbonic anhydrase inhibitors. Synthesis, enzyme inhibition, enantioselectivity, computational and crystallographic studies and in vivo activity for a new class of intraocular pressure lowering agents. Eur J Med Chem, 151:363-375, 2018 Cited by PubMed: 29635168DOI: 10.1016/j.ejmech.2018.04.002 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.5 Å) |
Structure validation
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