CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00431393" 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 CFAMM00431393
Family CFFBM14965 Pol polyprotein inhibitor AC1LAH8S family
Superfamily CFSBM6479 Pol polyprotein Binder Superfamily 43
Class CFCID1061 Class 2411
External ID CHEMBL56247 External Source CHEMBL
PubChem CID 488084 Functional Category Bioactive
Molecule Name AC1LAH8S
IUPAC Name [(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms CHEBI:186681;[(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate;Carbamic acid, [(1S,2R)-3-[(2S)-2-[[(1,1-dimethylethyl)amino]carbonyl]-4-(3-thienylmethyl)-1-piperazinyl]-2-hydroxy-1-(phenylmethyl)propyl]-, (2R,3R)-tetrahydro-2-(1-methylethyl)-1,1-dioxido-3-thienyl
InChi InChI=1S/C32H48N4O6S2/c1-22(2)29-28(12-16-44(29,40)41)42-31(39)33-25(17-23-9-7-6-8-10-23)27(37)20-36-14-13-35(18-24-11-15-43-21-24)19-26(36)30(38)34-32(3,4)5/h6-11,15,21-22,25-29,37H,12-14,16-20H2,1-5H3,(H,33,39)(H,34,38)/t25-,26-,27+,28+,29+/m0/s1
InChiKey TUTXAZXTRDKQTM-MUPNWXRXSA-N
Formula C32H48N4O6S2 Molecular Weight 648.88
Cross Link CHEMBL56247
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
 

 

27257 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', 'CFAMM00431393'),None, txtsearch, CFAMM00431393|