CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00222166" 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 CFAMM00222166
Family CFFID911 Cathepsin F Inhibitor Benzoyl-tyrosine-alanine-methyl Ketone Family
Superfamily CFSID746 Cathepsin F Inhibitor Benzoyl-tyrosine-alanine-methyl Ketone Superfamily
Class CFCID331 Class 1681
External ID CHEMBL200667 External Source CHEMBL
PubChem CID 44405780 Functional Category Bioactive
Molecule Name 3-[2-[[(2S)-3-[(3S)-3-dodecanoyloxydecoxy]-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylamino]-2-[(4-hydroxyphenyl)methyl]-3-oxopropanoic acid
IUPAC Name 3-[2-[[(2S)-3-[(3S)-3-dodecanoyloxydecoxy]-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylamino]-2-[(4-hydroxyphenyl)methyl]-3-oxopropanoic acid
Synonyms CHEBI:433760
InChi InChI=1S/C51H91N2O12P/c1-4-7-10-13-15-17-18-20-21-24-27-30-48(55)53-44(42-64-66(60,61)63-39-37-52-50(57)47(51(58)59)40-43-32-34-45(54)35-33-43)41-62-38-36-46(29-26-23-12-9-6-3)65-49(56)31-28-25-22-19-16-14-11-8-5-2/h32-35,44,46-47,54H,4-31,36-42H2,1-3H3,(H,52,57)(H,53,55)(H,58,59)(H,60,61)/t44-,46-,47?/m0/s1
InChiKey WWCJEETVWHRGBF-KGXZGBMCSA-N
Formula C51H91N2O12P Molecular Weight 955.25
Cross Link CHEMBL200667
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
 

 

27514 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', 'CFAMM00222166'),None, txtsearch, CFAMM00222166|