CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00344339" 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 CFAMM00344339
Family CFFBM3195 Cathepsin B and Calpain-1 catalytic subunit inhibitor AGN-PC-075LAH family
Superfamily CFSBM134 Pol polyprotein and Cathepsin B Binder Superfamily 2
Class CFCID697 Class 2047
External ID CHEMBL435203 External Source CHEMBL
PubChem CID 44353532 Functional Category Bioactive
Molecule Name AGN-PC-075L3G
IUPAC Name benzyl N-[1-[[4-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-3,4-dioxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Synonyms CHEBI:317658;benzyl N-[1-[[4-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-3,4-dioxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
InChi InChI=1S/C33H36F3N3O6/c1-21(2)16-27(39-32(44)45-20-23-12-7-4-8-13-23)30(42)38-26(17-22-10-5-3-6-11-22)29(41)31(43)37-19-28(40)24-14-9-15-25(18-24)33(34,35)36/h3-15,18,21,26-28,40H,16-17,19-20H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)
InChiKey VQYAUQQZKIBVFS-UHFFFAOYSA-N
Formula C33H36F3N3O6 Molecular Weight 627.65
Cross Link CHEMBL435203
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
 

 

27409 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', 'CFAMM00344339'),None, txtsearch, CFAMM00344339|