CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00340231" 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 CFAMM00340231
Family CFFBM2980 Calpain-2 catalytic subunit and Calpain-1 catalytic subunit inhibitor AGN-PC-075LAW family
Superfamily CFSBM51 Calpain-1 catalytic subunit and Pol polyprotein Binder Superfamily
Class CFCAD609 Class 609
External ID CHEMBL133707 External Source CHEMBL
PubChem CID 44353820 Functional Category Bioactive
Molecule Name AGN-PC-075LAE
IUPAC Name benzyl N-[1-[[4-[[2-[3-(3,4-dichlorophenoxy)phenyl]-2-hydroxyethyl]amino]-3,4-dioxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Synonyms CHEBI:318512;benzyl N-[1-[[4-[[2-[3-(3,4-dichlorophenoxy)phenyl]-2-hydroxyethyl]amino]-3,4-dioxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
InChi InChI=1S/C38H39Cl2N3O7/c1-24(2)18-33(43-38(48)49-23-26-12-7-4-8-13-26)36(46)42-32(19-25-10-5-3-6-11-25)35(45)37(47)41-22-34(44)27-14-9-15-28(20-27)50-29-16-17-30(39)31(40)21-29/h3-17,20-21,24,32-34,44H,18-19,22-23H2,1-2H3,(H,41,47)(H,42,46)(H,43,48)
InChiKey PCBGEKNWVUOWNB-UHFFFAOYSA-N
Formula C38H39Cl2N3O7 Molecular Weight 720.64
Cross Link CHEMBL133707
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
 

 

27627 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', 'CFAMM00340231'),None, txtsearch, CFAMM00340231|