CFam Chemical Families Database
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You are searching for "CFAMM00344340" 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.

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CFAM Mol ID CFAMM00344340
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 CHEMBL421910 External Source CHEMBL
PubChem CID 44353822 Functional Category Bioactive
Molecule Name AGN-PC-075LAG
IUPAC Name benzyl N-[1-[[1-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Synonyms CHEBI:318514;benzyl N-[1-[[1-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
InChi InChI=1S/C31H37N3O6/c1-4-25(28(36)30(38)32-18-27(35)24-15-14-22-12-8-9-13-23(22)17-24)33-29(37)26(16-20(2)3)34-31(39)40-19-21-10-6-5-7-11-21/h5-15,17,20,25-27,35H,4,16,18-19H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
InChiKey NRYJQWJSMMVVFJ-UHFFFAOYSA-N
Formula C31H37N3O6 Molecular Weight 547.64
Cross Link CHEMBL421910
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
 

 

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Dr. Chen Yuzong

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


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