RE: Searchable Chemical Database - Substructures and Similarity



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)
 -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+