CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00508057" 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 CFAMM00508057
Family CFFBM36651 Proteinase-activated receptor 1 ligand AGN-PC-075QA4 family
Superfamily CFSBM5411 Beta-lactamase and Substance-P receptor Binder Superfamily 2
Class CFCAD647 Class 647
External ID CHEMBL144066 External Source CHEMBL
PubChem CID 44363559 Functional Category Bioactive
Molecule Name AGN-PC-075QA4
IUPAC Name 2-[[2-[[2-[acetyl(1H-indol-3-yloxy)amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
Synonyms CHEBI:342011;2-[[2-[[2-[acetyl(1H-indol-3-yloxy)amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
InChi InChI=1S/C41H53FN12O6/c1-23(2)19-32(37(57)51-31(36(43)56)9-6-18-48-40(44)45)52-38(58)33(20-25-12-16-28(17-13-25)50-41(46)47)53-39(59)34(21-26-10-14-27(42)15-11-26)54(24(3)55)60-35-22-49-30-8-5-4-7-29(30)35/h4-5,7-8,10-17,22-23,31-34,49H,6,9,18-21H2,1-3H3,(H2,43,56)(H,51,57)(H,52,58)(H,53,59)(H4,44,45,48)(H4,46,47,50)
InChiKey RZCYVNBXSRZDRY-UHFFFAOYSA-N
Formula C41H53FN12O6 Molecular Weight 828.93
Cross Link CHEMBL144066
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
 

 

43355 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', 'CFAMM00508057'),None, txtsearch, CFAMM00508057|