title: CREDO: a structural interactomics database for drug discovery.
abstract: CREDO is a unique relational database storing all pairwise atomic interactions of inter- as well as intra-molecular contacts between small molecules and macromolecules found in experimentally determined structures from the Protein Data Bank. These interactions are integrated with further chemical and biological data. The database implements useful data structures and algorithms such as cheminformatics routines to create a comprehensive analysis platform for drug discovery. The database can be accessed through a web-based interface, downloads of data sets and web services at http://www-cryst.bioc.cam.ac.uk/credo. Database URL: http://www-cryst.bioc.cam.ac.uk/credo.
authors.affiliation: Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, CB2 1GA Cambridge, UK. ams214@cam.ac.uk
authors.forename: Adrian M
authors.initials: AM
authors.lastname: Schreyer
authors.forename: Tom L
authors.initials: TL
authors.lastname: Blundell
mesh_terms: D000465:Algorithms; D001549:Benzamides / Q000737:chemistry; D001665:Binding Sites; D016000:Cluster Analysis; D030562:Databases, Protein; D055808:Drug Discovery; D006801:Humans; D000068877:Imatinib Mesylate; D020407:Internet; D008024:Ligands; D008958:Models, Molecular; D010879:Piperazines / Q000737:chemistry; D017433:Protein Structure, Secondary; D011506:Proteins / Q000737:chemistry*; D011743:Pyrimidines / Q000737:chemistry; D011808:Quinone Reductases / Q000737:chemistry; D014584:User-Computer Interface
chemical_list: D001549:Benzamides; D008024:Ligands; D010879:Piperazines; D011506:Proteins; D011743:Pyrimidines; D000068877:Imatinib Mesylate; C419642:NRH - quinone oxidoreductase2; D011808:Quinone Reductases