CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00327208" 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 CFAMM00327208
Family CFFBM1767 Plasmepsin-2 inhibitor N-[(2S)-1-[[(2S)-6-amino-1-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-[4-[[(2S,3S)-1-[[(3S,4S)-1-(butylamino)-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]phenoxy]benzamide family
Superfamily CFSBM1020 Plasmepsin-2 and Cathepsin D Binder Superfamily
Class CFCAD630 Class 630
External ID CHEMBL133913 External Source CHEMBL
PubChem CID 10674242 Functional Category Bioactive
Molecule Name SureCN8516699
IUPAC Name N-methyl-4-[(E)-3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]benzamide
Synonyms CHEBI:317317
InChi InChI=1S/C32H33N5O4/c1-20-9-15-27(22(3)25(20)19-41-28-8-6-7-26-31(28)36-21(2)17-34-26)37(5)30(39)18-35-29(38)16-12-23-10-13-24(14-11-23)32(40)33-4/h6-17H,18-19H2,1-5H3,(H,33,40)(H,35,38)/b16-12+
InChiKey NZURFTJEOPZBMH-FOWTUZBSSA-N
Formula C32H33N5O4 Molecular Weight 551.64
Cross Link CHEMBL133913
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
 

 

27759 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', 'CFAMM00327208'),None, txtsearch, CFAMM00327208|