From chemistry-request@ccl.net Thu Oct 23 04:03:42 2003 Received: from exchangesrv01.nuevolution.com ([80.196.27.25]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id h9N839MV005967 for ; Thu, 23 Oct 2003 04:03:10 -0400 X-MimeOLE: Produced By Microsoft Exchange V6.0.5762.3 content-class: urn:content-classes:message MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Subject: RE: Searchable Chemical Database - Substructures and Similarity Date: Thu, 23 Oct 2003 10:06:48 +0200 Message-ID: X-MS-Has-Attach: X-MS-TNEF-Correlator: Thread-Topic: Searchable Chemical Database - Substructures and Similarity Thread-Index: AcOZKbE7GR5HbNsVSam+dBTmEak6MgAEj79Q From: =?iso-8859-1?Q?Mads_N=F8rregaard-Madsen?= To: "Donald Keidel" , X-Spam-Status: No, hits=0.0 required=7.0 tests=none version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id h9N83gMV005992 Hi Donald, I recall receiving a free CD from MDD with a database of virtually available compounds collected from hundreds of companies and universities around the world - maybe it could be of use? Their website is www.worldmolecules.com /Mads ------------------------------------------ Mads Nxrregaard-Madsen, PhD. Director of Molecular Design Nuevolution A/S Rxnnegade 8 DK2100 Copenhagen www.nuevolution.com -----Original Message----- From: Donald Keidel [mailto:dopetec{at}dslextreme.com] Sent: Wednesday, October 22, 2003 8:37 PM To: chemistry{at}ccl.net Subject: CCL:Searchable Chemical Database - Substructures and Similarity Hello, I am looking for a web site or program that allows an organic chemist or a biochemist looking for potential ligand candidates for a protein to search a huge chemical database of known compounds based on a substructure or similarity search. I have tried the Aldrich one, SciFinder Scholar, and the one that comes with Chem Office (ACX), but I was wondering if there are more that might be more comprehensive and might have links to the manufacturer of the chemical so that it can be purchased. We would like to bind these chemical directly or use them as synthons in organic synthesis reactions. Thank you in advance for all help. Don ------------------------------------------------------------------------ --------------------------------------- Donald J. Keidel University of California, Riverside Department of Biochemistry and Molecular Biology Riverside, CA 92521 phone: (909) 787-5493 fax: (909) 787-4434 dopetec{at}dslextreme.com webpage: www.biochemistry.ucr.edu/gru/gradstudents/don_keidel/index.htm -= This is automatically added to each message by the mailing script =- To send e-mail to subscribers of CCL put the string CCL: on your Subject: line and send your message to: CHEMISTRY{at}ccl.net Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST{at}ccl.net HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs If your mail is bouncing from CCL.NET domain send it to the maintainer: Jan Labanowski, jkl{at}ccl.net (read about it on CCL Home Page) -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+