CFam Chemical Families Database
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You are searching for "CFAMM00374470" in compound.

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CFAM Mol ID CFAMM00374470
Family CFFBM6708 Pol polyprotein inhibitor AC1NQUJL family
Superfamily CFSBM3856 Pol polyprotein Binder Superfamily 25
Class CFCBM337 Class 3387
External ID CHEMBL336684 External Source CHEMBL
PubChem CID 464317 Functional Category Bioactive
Molecule Name AC1LA9K2
IUPAC Name benzyl N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
Synonyms SureCN11988980;CHEBI:331785;Benzyl ((1S,2R)-1-benzyl-2-hydroxy-3-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}propyl)carbamate;benzyl N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
InChi InChI=1S/C29H36N2O6S/c1-22(2)19-31(38(34,35)26-16-14-25(36-3)15-17-26)20-28(32)27(18-23-10-6-4-7-11-23)30-29(33)37-21-24-12-8-5-9-13-24/h4-17,22,27-28,32H,18-21H2,1-3H3,(H,30,33)/t27-,28+/m0/s1
InChiKey ODNJAESPMSUTAB-WUFINQPMSA-N
Formula C29H36N2O6S Molecular Weight 540.67
Cross Link CHEMBL336684
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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