CCL: PDB: structures with approved drugs
- From: "Alexander Kos" <software/a\akosgmbh.eu>
- Subject: CCL: PDB: structures with approved drugs
- Date: Tue, 25 Nov 2008 10:46:04 +0100
Sent to CCL by: "Alexander Kos" [software()akosgmbh.eu]
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,
AKos Consulting & Solutions Deutschland GmbH
Dr. Alexander Kos
Phone: +49 7627 970068
Fax: +49 7627 970067
Fax (to mail): +49 1805 744743 8318
Mobile +49 171 526 9392
Registered at Amtsgericht Freiburg HRB 700872, Ust-ID DE253131617, General
Manager: Greta Auf der Maur, Alexander Kos
Authorized agent for Symyx Technologies, Inc. (www.symyx.com), DIMENSION 5, Ltd.
(www.miner3d.com), CompuDrug International (www.compudrug.com), Molecular
Networks GmbH (www.mol-net.de), and others.
> From: owner-chemistry+software==akosgmbh.eu|a|ccl.net [mailto:owner-chemistry+software==akosgmbh.eu|a|ccl.net] On Behalf Of Peter
Sent: Montag, 24. November 2008 23:27
To: Kos, Alexander J.
Subject: CCL: PDB: structures with approved drugs
Sent to CCL by: Peter Schmidtke [pschmidtke%x%mmb.pcb.ub.es]
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
Thanks in advance.
PhD Student at the Molecular Modeling and Bioinformatics Group
Dep. Physical Chemistry
Faculty of Pharmacy
University of Barcelona
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