CFam Chemical Families Database
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You are searching for "CFAMM00325361" 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 CFAMM00325361
Family CFFBM1584 Calpain-2 catalytic subunit and Calpain-1 catalytic subunit inhibitor benzyl N-[1-[[1,2-dioxo-1-(pyridin-2-ylmethylamino)pentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate family
Superfamily CFSBM911 Calpain-1 catalytic subunit and Cathepsin B Binder Superfamily
Class CFCBM353 Class 3403
External ID CHEMBL207560 External Source CHEMBL
PubChem CID 23648423 Functional Category Bioactive
Molecule Name dipeptidyl nitrile, 16b
IUPAC Name (2S)-N-[(1R)-1-cyano-2-phenylmethoxyethyl]-4-methyl-2-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]pentanamide
Synonyms
InChi InChI=1S/C27H36N6O3/c1-21(2)16-25(27(35)30-23(17-28)20-36-19-22-6-4-3-5-7-22)31-26(34)18-32-12-14-33(15-13-32)24-8-10-29-11-9-24/h3-11,21,23,25H,12-16,18-20H2,1-2H3,(H,30,35)(H,31,34)/t23-,25+/m1/s1
InChiKey UZCUBOSCRIAKSH-NOZRDPDXSA-N
Formula C27H36N6O3 Molecular Weight 492.61
Cross Link CHEMBL207560
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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