6EX1

Crystal structure of human carbonic anhydrase I in complex with the 4-[(3S)-3 benzyl-4-(4-sulfamoylbenzoyl)piperazine -1-carbonyl]benzene-1-sulfonamide inhibitor

Summary for 6EX1

• Entry DOI: 10.2210/pdb6ex1/pdb
• Descriptor: Carbonic anhydrase 1, ZINC ION, 4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, ... (6 entities in total)
• Functional Keywords: lyase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 58905.31

Authors

Ferraroni, M.,Supuran, C.T.,Chiapponi, D.,Chiaramonte, N. (deposition date: 2017-11-07, release date: 2018-10-10, 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; PubMed: 29635168; DOI: 10.1016/j.ejmech.2018.04.002

Experimental method

X-RAY DIFFRACTION (1.6 Å)