Subject: Searchable Chemical Database - Substructures and Similarity

From: "Donald Keidel" <dopetec=at=dslextreme.com>
Date: Wed, 22 Oct 2003 11:36:49 -0700

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

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From: Mads Nørregaard-Madsen <MN{at}nuevolution.com>
Date: Thu, 23 Oct 2003 10:06:48 +0200

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,

Don

dopetec{at}dslextreme.com

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From: Sorel.Muresan{at}astrazeneca.com
Date: Thu, 23 Oct 2003 08:39:25 +0200

Hi Don,

Try ChemNavigator at www.chemnavigator.com (you have to register).

You'll get access to more than 12 million chemical samples, a search
interface, and all info to order compounds.

Cheers,
Sorel.

Sorel Muresan, PhD                
AstraZeneca R&D Mvlndal
EST Chemical Computing
Pepparedsleden 1, 431 83 Mvlndal, Sweden
Tel: +46-31-7065283  Fax: +46-31-7763792 
sorel.muresan{at}astrazeneca.com

-----Original Message-----
From: Donald Keidel [mailto:dopetec{at}dslextreme.com]
Sent: torsdag, oktober 23, 2003 07:17
To: chemistry{at}ccl.net
Subject: CCL:Searchable Chemical Database - Substructures and Similarity

Hello,

Don

-= 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
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