CCL: PDB: structures with approved drugs

 Sent to CCL by: "Alexander Kos" [software()]
 Dear Mr. Schmidt
 There is probably no databases with the details that you desire. However, we
 sell for academia a package of databases that contains Comprehensive Medicinal
 Chemistry. This includes most of the active ingredients of drugs on the market.
 The Drug Data Report database contains most compounds that are under
 investigation. In both databases you have 2D structures, biological activities
 and additional data. The in-house version contain also the Corina generated 3D
 structures. With the Isentris front end you can use a conformationally flexible
 3D search, that allows to search over all conformations, even though only one
 conformation is stored in the database.
 With best regards,
 Alexander Kos
 AKos Consulting & Solutions Deutschland GmbH
 (AKos GmbH)
 Dr. Alexander Kos
 Austr. 26
 D-79585 Steinen
 Phone: +49 7627 970068
 Fax: +49 7627 970067
 Fax (to mail):   +49 1805 744743 8318
 Mobile +49 171 526 9392
 E-mail: software|a|
 Registered at Amtsgericht Freiburg HRB 700872, Ust-ID DE253131617, General
 Manager: Greta Auf der Maur, Alexander Kos
 Authorized agent for Symyx Technologies, Inc. (, DIMENSION 5, Ltd.
 (, CompuDrug International (, Molecular
 Networks GmbH (, and others.
 -----Original Message-----
 > From:|a| [|a|] On Behalf Of Peter
 Schmidtke pschmidtke*|*
 Sent: Montag, 24. November 2008 23:27
 To: Kos, Alexander J.
 Subject: CCL: PDB: structures with approved drugs
 Sent to CCL by: Peter Schmidtke []
 Dear CCLers,
 I have certainly a standard question that might appear often. Anyway, I
 would like to know if there is a comprehensive list of approved and
 marketed drugs with a corresponding PDB structure with the drug actually
 inside? The Drugbank only provides information about the targets, but not
 this detail.
 Thanks in advance.
 Best regards.
 Peter Schmidtke
 PhD Student at the Molecular Modeling and Bioinformatics Group
 Dep. Physical Chemistry
 Faculty of Pharmacy
 University of Barcelona
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