CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00388571" 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 CFAMM00388571
Family CFFBM8528 Pol polyprotein inhibitor Lysine Sulfonamide 6h family
Superfamily CFSBM4556 Integrin beta-3 and Pol polyprotein Binder Superfamily
Class CFCBM270 Class 3320
External ID CHEMBL181972 External Source CHEMBL
PubChem CID 513750 Functional Category Bioactive
Molecule Name Lysine Sulfonamide 6h
IUPAC Name (2S)-6-[[benzyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid
Synonyms AC1LAH7L;(2S)-6-[[benzyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid;N6-{[Benzyl(pyridin-4-ylmethyl)amino]carbonyl}-N2-isobutyl-N2-[(4-methylphenyl)sulfonyl]-L-lysine
InChi InChI=1S/C31H40N4O5S/c1-24(2)21-35(41(39,40)28-14-12-25(3)13-15-28)29(30(36)37)11-7-8-18-33-31(38)34(22-26-9-5-4-6-10-26)23-27-16-19-32-20-17-27/h4-6,9-10,12-17,19-20,24,29H,7-8,11,18,21-23H2,1-3H3,(H,33,38)(H,36,37)/t29-/m0/s1
InChiKey WNFJASDZOJMGEK-LJAQVGFWSA-N
Formula C31H40N4O5S Molecular Weight 580.74
Cross Link CHEMBL181972
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
 

 

38798 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', 'CFAMM00388571'),None, txtsearch, CFAMM00388571|