CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00428976" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00428976
Family CFFBM14540 Beta-3 adrenergic receptor ligand SureCN4584432 family
Superfamily CFSBM6354 Beta-3 adrenergic receptor Binder Superfamily 3
Class CFCAD411 Class 411
External ID CHEMBL473493 External Source CHEMBL
PubChem CID 42639488 Functional Category Bioactive
Molecule Name SureCN4585318
IUPAC Name 4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-N-methylsulfonyl-2-propylsulfanylbenzamide;hydrochloride
Synonyms CHEBI:619902
InChi InChI=1S/C27H32N2O4S2.ClH/c1-3-17-34-26-18-23(13-14-24(26)27(31)29-35(2,32)33)21-11-9-20(10-12-21)15-16-28-19-25(30)22-7-5-4-6-8-22;/h4-14,18,25,28,30H,3,15-17,19H2,1-2H3,(H,29,31);1H/t25-;/m0./s1
InChiKey YTFUWGQHTMHDEV-UQIIZPHYSA-N
Formula C27H33ClN2O4S2 Molecular Weight 549.14
Cross Link CHEMBL473493
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

48694 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00428976'),None, txtsearch, CFAMM00428976|