CFam Chemical Families Database
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You are searching for "CFAMM00433676" 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 CFAMM00433676
Family CFFBM15364 Pol polyprotein inhibitor [(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(2-methylpyridin-4-yl)methyl]piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate family
Superfamily CFSBM24 Pol polyprotein and Cathepsin B Binder Superfamily
Class CFCAD134 Class 134
External ID CHEMBL72399 External Source CHEMBL
PubChem CID 44311967 Functional Category Bioactive
Molecule Name [(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(2-propylpyridin-4-yl)methyl]piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
IUPAC Name [(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-[(2-propylpyridin-4-yl)methyl]piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms CHEBI:215221
InChi InChI=1S/C36H55N5O6S/c1-7-11-28-20-27(14-16-37-28)22-40-17-18-41(30(23-40)34(43)39-36(4,5)6)24-31(42)29(21-26-12-9-8-10-13-26)38-35(44)47-32-15-19-48(45,46)33(32)25(2)3/h8-10,12-14,16,20,25,29-33,42H,7,11,15,17-19,21-24H2,1-6H3,(H,38,44)(H,39,43)/t29-,30-,31+,32+,33+/m0/s1
InChiKey IKGHVIFRTXJEFY-WWPLQOFTSA-N
Formula C36H55N5O6S Molecular Weight 685.92
Cross Link CHEMBL72399
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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