CFam Chemical Families Database
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You are searching for "CFAMM00257261" in compound.

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CFAM Mol ID CFAMM00257261
Family CFFID2017 Cathepsin B and Cathepsin S Inhibitor Ac-hphe-leu-ala-leuvsme Family
Superfamily CFSCD668 Litronesib Superfamily
Class CFCCD472 Class 1285
External ID CHEMBL2326261 External Source CHEMBL
PubChem CID 71561866 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S)-3-[4-(aminomethyl)phenyl]-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]propanoyl]amino]-N-[(E,2S)-1-[4-(aminomethyl)phenyl]-4-methylsulfonylbut-3-en-2-yl]-4-methylpentanamide
IUPAC Name (2S)-2-[[(2S)-3-[4-(aminomethyl)phenyl]-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]propanoyl]amino]-N-[(E,2S)-1-[4-(aminomethyl)phenyl]-4-methylsulfonylbut-3-en-2-yl]-4-methylpentanamide
Synonyms
InChi InChI=1S/C37H48N8O5S/c1-25(2)19-32(35(46)41-31(17-18-51(3,49)50)20-27-9-13-29(23-38)14-10-27)42-36(47)33(21-28-11-15-30(24-39)16-12-28)43-37(48)34(44-45-40)22-26-7-5-4-6-8-26/h4-18,25,31-34H,19-24,38-39H2,1-3H3,(H,41,46)(H,42,47)(H,43,48)/b18-17+/t31-,32+,33+,34+/m1/s1
InChiKey VSAACOMACMBQKJ-YWIYQGBMSA-N
Formula C37H48N8O5S Molecular Weight 716.89
Cross Link CHEMBL2326261
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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