CFam Chemical Families Database
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You are searching for "CFAMM00330950" in compound.

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CFAM Mol ID CFAMM00330950
Family CFFBM2162 Pol polyprotein inhibitor AC1LAPRV family
Superfamily CFSBM867 Pol polyprotein and Collagenase 3 Binder Superfamily
Class CFCBM337 Class 3387
External ID CHEMBL124423 External Source CHEMBL
PubChem CID 492893 Functional Category Bioactive
Molecule Name AC1LAPSD
IUPAC Name (2S)-2-amino-N-[(3S,6S,9S)-3-[(1R)-2-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-1-hydroxyethyl]-6-butyl-5,8-dioxo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-9-yl]-3-hydroxypropanamide
Synonyms Macrocycle-containing Compound 9g;xy-, (2S)-;(2S)-2-amino-N-[(3S,6S,9S)-3-[(1R)-2-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-1-hydroxyethyl]-6-butyl-5,8-dioxo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-9-yl]-3-hydroxypropanamide;Propanamide, 2-amino-N-[(7S,10S,13S)-13-[(1R)-2-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-1-hydroxyethyl]-10-butyl-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-15,17,18-trien-7-yl]-3-hydro
InChi InChI=1S/C36H56N6O8S/c1-4-5-8-30-36(47)41-32(33(44)22-42(19-18-24(2)3)51(48,49)28-16-12-26(37)13-17-28)21-25-10-14-27(15-11-25)50-20-7-6-9-31(35(46)40-30)39-34(45)29(38)23-43/h10-17,24,29-33,43-44H,4-9,18-23,37-38H2,1-3H3,(H,39,45)(H,40,46)(H,41,47)/t29-,30-,31-,32-,33+/m0/s1
InChiKey XKWMIPNLKJFKLK-PMUGGPHNSA-N
Formula C36H56N6O8S Molecular Weight 732.93
Cross Link CHEMBL124423
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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