CFam Chemical Families Database
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You are searching for "CFAMM00436069" 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 CFAMM00436069
Family CFFBM15826 Pol polyprotein inhibitor benzyl N-[(2R)-1-[[(1S)-1-[(2R,3S)-3-[2-[benzoyl(propan-2-yl)sulfamoyl]ethyl]oxiran-2-yl]-2-phenylethyl]amino]-3-methyl-3-methylsulfonyl-1-oxobutan-2-yl]carbamate family
Superfamily CFSBM1934 Cathepsin B and Cathepsin L1 Binder Superfamily 3
Class CFCBM156 Class 3206
External ID CHEMBL328956 External Source CHEMBL
PubChem CID 467656 Functional Category Bioactive
Molecule Name AC1LAFQ2
IUPAC Name benzyl N-[(2R)-1-[[(1S)-1-[(2R,3S)-3-[2-(tert-butylsulfamoyl)ethyl]oxiran-2-yl]-2-phenylethyl]amino]-3-methyl-3-methylsulfonyl-1-oxobutan-2-yl]carbamate
Synonyms CHEBI:243196;((R)-1-{(S)-1-[(2R,3S)-3-(2-tert-Butylsulfamoyl-ethyl)-oxiranyl]-2-phenyl-ethylcarbamoyl}-2-methanesulfonyl-2-methyl-propyl)-carbamic acid benzyl ester;benzyl N-[(2R)-1-[[(1S)-1-[(2R,3S)-3-[2-(tert-butylsulfamoyl)ethyl]oxiran-2-yl]-2-phenylethyl]amino]-3-methyl-3-methylsulfonyl-1-oxobutan-2-yl]carbamate
InChi InChI=1S/C30H43N3O8S2/c1-29(2,3)33-43(38,39)18-17-24-25(41-24)23(19-21-13-9-7-10-14-21)31-27(34)26(30(4,5)42(6,36)37)32-28(35)40-20-22-15-11-8-12-16-22/h7-16,23-26,33H,17-20H2,1-6H3,(H,31,34)(H,32,35)/t23-,24-,25+,26+/m0/s1
InChiKey ORHUDBVJMDPRES-QEGGNFSNSA-N
Formula C30H43N3O8S2 Molecular Weight 637.81
Cross Link CHEMBL328956
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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