CFam Chemical Families Database
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You are searching for "CFAMM00219708" in compound.

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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 CFAMM00219708
Family CFFID854 Cathepsin F and Cruzipain Inhibitor Benzoyl-arginine-alanine-methyl Ketone Family
Superfamily CFSID698 Cruzipain and Cathepsin S Binder Superfamily
Class CFCCD382 Class 1195
External ID CHEMBL131879 External Source CHEMBL
PubChem CID 44353807 Functional Category Bioactive
Molecule Name AGN-PC-075LA2
IUPAC Name benzyl N-[1-[[1-[3-(3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)propylamino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Synonyms CHEBI:318488;benzyl N-[1-[[1-[3-(3,4,4a,8a-tetrahydro-1H-isoquinolin-2-yl)propylamino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
InChi InChI=1S/C31H44N4O5/c1-4-26(28(36)30(38)32-16-10-17-35-18-15-24-13-8-9-14-25(24)20-35)33-29(37)27(19-22(2)3)34-31(39)40-21-23-11-6-5-7-12-23/h5-9,11-14,22,24-27H,4,10,15-21H2,1-3H3,(H,32,38)(H,33,37)(H,34,39)
InChiKey LXQHAGZZTQHHEO-UHFFFAOYSA-N
Formula C31H44N4O5 Molecular Weight 552.70
Cross Link CHEMBL131879
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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