CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00310332" 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 CFAMM00310332
Family CFFBM328 Beta-secretase 1 and Cathepsin D inhibitor 3ixk family
Superfamily CFSBM203 Beta-secretase 1 and Beta-secretase 2 Binder Superfamily
Class CFCBM78 Class 3128
External ID CHEMBL450491 External Source CHEMBL
PubChem CID 16725331 Functional Category Bioactive
Molecule Name 4-[[[(2S)-2-[[(3S,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-[methyl(methylsulfonyl)amino]-5-[[(1R)-1-phenylethyl]carbamoyl]benzoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]methyl]benzoic acid
IUPAC Name 4-[[[(2S)-2-[[(3S,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-[methyl(methylsulfonyl)amino]-5-[[(1R)-1-phenylethyl]carbamoyl]benzoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]methyl]benzoic acid
Synonyms CHEBI:613886
InChi InChI=1S/C42H47F2N5O10S/c1-24(2)38(41(54)45-22-26-11-13-28(14-12-26)42(55)56)48-37(51)21-36(50)35(23-59-34-19-31(43)18-32(44)20-34)47-40(53)30-15-29(16-33(17-30)49(4)60(5,57)58)39(52)46-25(3)27-9-7-6-8-10-27/h6-20,24-25,35-36,38,50H,21-23H2,1-5H3,(H,45,54)(H,46,52)(H,47,53)(H,48,51)(H,55,56)/t25-,35+,36+,38+/m1/s1
InChiKey AHDGDEFMZAFTKB-UUXVCSEFSA-N
Formula C42H47F2N5O10S Molecular Weight 851.91
Cross Link CHEMBL450491
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
 

 

27648 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', 'CFAMM00310332'),None, txtsearch, CFAMM00310332|