CFam Chemical Families Database
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You are searching for "CFAMM00330347" in compound.

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CFAM Mol ID CFAMM00330347
Family CFFBM2092 Pol polyprotein inhibitor BEJ family
Superfamily CFSBM776 Pol polyprotein and Plasmepsin-1 Binder Superfamily 2
Class CFCBM302 Class 3352
External ID CHEMBL123850 External Source CHEMBL
PubChem CID 445308 Functional Category Bioactive
Molecule Name BEJ
IUPAC Name (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2,5-bis[(4-pyridin-3-ylphenyl)methoxy]hexanediamide
Synonyms INHIBITOR BEA428;C2-Symmetric inhibitor 9;1ec2;AC1L9HRL;N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE];(2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2,5-bis[(4-pyridin-3-ylphenyl)methoxy]hexanediamide;N1,N6-bis[(1S)-2-Methyl-1-(methylcarbamoyl)propyl]-(2R,3R,4R,5R)-2,5-bis[4-(3-pyridyl)benzyloxy]-3,4-dihydroxyhexanediamide
InChi InChI=1S/C42H52N6O8/c1-25(2)33(39(51)43-5)47-41(53)37(55-23-27-11-15-29(16-12-27)31-9-7-19-45-21-31)35(49)36(50)38(42(54)48-34(26(3)4)40(52)44-6)56-24-28-13-17-30(18-14-28)32-10-8-20-46-22-32/h7-22,25-26,33-38,49-50H,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1
InChiKey FOBRXMROTNVGST-CXPJILFNSA-N
Formula C42H52N6O8 Molecular Weight 768.90
Cross Link CHEMBL123850
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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