CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00330944" 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 CFAMM00330944
Family CFFBM2162 Pol polyprotein inhibitor AC1LAPRV family
Superfamily CFSBM867 Pol polyprotein and Collagenase 3 Binder Superfamily
Class CFCBM337 Class 3387
External ID CHEMBL288792 External Source CHEMBL
PubChem CID 11445035 Functional Category Bioactive
Molecule Name 4-amino-N-[(2R)-2-[(3S,6S)-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-3-yl]-2-hydroxyethyl]-N-hexylbenzenesulfonamide
IUPAC Name 4-amino-N-[(2R)-2-[(3S,6S)-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-3-yl]-2-hydroxyethyl]-N-hexylbenzenesulfonamide
Synonyms CHEBI:165357
InChi InChI=1S/C33H50N4O6S/c1-4-5-6-9-20-37(44(41,42)28-18-14-26(34)15-19-28)23-30(38)29-22-25-12-16-27(17-13-25)43-21-10-7-8-11-31(39)36-32(24(2)3)33(40)35-29/h12-19,24,29-30,32,38H,4-11,20-23,34H2,1-3H3,(H,35,40)(H,36,39)/t29-,30+,32-/m0/s1
InChiKey PIEAPTFYCZJAGK-WTGSTYHVSA-N
Formula C33H50N4O6S Molecular Weight 630.84
Cross Link CHEMBL288792
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
 

 

26832 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', 'CFAMM00330944'),None, txtsearch, CFAMM00330944|