CFam Chemical Families Database
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You are searching for "CFAMM00257221" in compound.

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CFAM Mol ID CFAMM00257221
Family CFFID2016 Cathepsin B and Cathepsin S Inhibitor Cbz-ile-leu-ala-leuvsme Family
Superfamily CFSID698 Cruzipain and Cathepsin S Binder Superfamily
Class CFCCD382 Class 1195
External ID DNC006564 External Source TTD
PubChem CID 11534625 Functional Category Investigative Drug
Molecule Name Cbz-Ile-Leu-Ala-LeuVSMe
IUPAC Name benzyl N-[(2S,3S)-3-methyl-1-[[(2S)-4-methyl-1-[[(2S)-1-[[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Synonyms CHEMBL207403;CHEBI:445928;DNC006564
InChi InChI=1S/C31H50N4O7S/c1-9-22(6)27(35-31(39)42-19-24-13-11-10-12-14-24)30(38)34-26(18-21(4)5)29(37)32-23(7)28(36)33-25(17-20(2)3)15-16-43(8,40)41/h10-16,20-23,25-27H,9,17-19H2,1-8H3,(H,32,37)(H,33,36)(H,34,38)(H,35,39)/b16-15+/t22-,23-,25+,26-,27-/m0/s1
InChiKey PXJWGKDQRNBYKI-HUHPYHTRSA-N
Formula C31H50N4O7S Molecular Weight 622.82
Cross Link CHEMBL207403
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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