{"abstract": "A three-dimensional pharmacophore model of CA IX inhibitors was generated and used to screen the ZINC database of commercially available compounds. The hits were docked in a CA IX homology model. By visualizing the binding mode and score of these compounds, six derivatives were selected and evaluated for their inhibitory potency against CA IX. A highly active CA IX inhibitor was identified which may be used as a lead to design novel such derivatives.", "authors": "Thiry A, Ledecq M, Cecchi A, Frederick R, Dogné JM, Supuran CT, Wouters J, Masereel B.", "chembl_release": {"chembl_release": "CHEMBL_2", "creation_date": "2009-11-30"}, "contact": null, "doc_type": "PUBLICATION", "document_chembl_id": "CHEMBL1140874", "doi": "10.1016/j.bmc.2008.11.071", "doi_chembl": null, "first_page": "553", "issue": "2", "journal": "Bioorg Med Chem", "journal_full_title": "Bioorganic & medicinal chemistry.", "last_page": "557", "patent_id": null, "pubmed_id": 19097911, "src_id": 1, "title": "Ligand-based and structure-based virtual screening to identify carbonic anhydrase IX inhibitors.", "volume": "17", "year": 2009}