CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00330947" 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.

Search Results

CFAM Mol ID CFAMM00330947
Family CFFBM2162 Pol polyprotein inhibitor AC1LAPRV family
Superfamily CFSBM867 Pol polyprotein and Collagenase 3 Binder Superfamily
Class CFCBM337 Class 3387
External ID CHEMBL125573 External Source CHEMBL
PubChem CID 492889 Functional Category Bioactive
Molecule Name AC1LAPS1
IUPAC Name (2S)-2-acetamido-N-[(3S,6S,9S)-3-[(1R)-2-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-1-hydroxyethyl]-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-9-yl]-3-hydroxypropanamide
Synonyms Macrocycle-containing Compound 9c;rien-7-yl]-3-hydroxy-, (2S)-;(2S)-2-acetamido-N-[(3S,6S,9S)-3-[(1R)-2-[(4-aminophenyl)sulfonyl-(3-methylbutyl)amino]-1-hydroxyethyl]-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-9-yl]-3-hydroxypropanamide;Propanamide, 2-(acetylamino)-N-[(7S,10S,13S)-13-[(1R)-2-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-1-hydroxyethyl]-10-(1-methylethyl)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-15,17,18-t
InChi InChI=1S/C37H56N6O9S/c1-23(2)17-18-43(53(50,51)29-15-11-27(38)12-16-29)21-33(46)31-20-26-9-13-28(14-10-26)52-19-7-6-8-30(40-36(48)32(22-44)39-25(5)45)35(47)42-34(24(3)4)37(49)41-31/h9-16,23-24,30-34,44,46H,6-8,17-22,38H2,1-5H3,(H,39,45)(H,40,48)(H,41,49)(H,42,47)/t30-,31-,32-,33+,34-/m0/s1
InChiKey YAUPSJXHXSEEKT-ALJNDBQTSA-N
Formula C37H56N6O9S Molecular Weight 760.94
Cross Link CHEMBL125573
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
 

 

26842 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00330947'),None, txtsearch, CFAMM00330947|