CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00455192" 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 CFAMM00455192
Family CFFBM20264 Cathepsin D and Beta-secretase 1 inhibitor N-[(2S,3R)-4-[[1-(3-tert-butyl-5-hydroxyphenyl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide family
Superfamily CFSBM5481 Cathepsin D and Beta-secretase 1 Binder Superfamily 9
Class CFCBM1545 Class 4595
External ID CHEMBL1257891 External Source CHEMBL
PubChem CID 52949295 Functional Category Bioactive
Molecule Name N-[(2S,3R)-4-[[1-(3-tert-butyl-5-hydroxyphenyl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
IUPAC Name N-[(2S,3R)-4-[[1-(3-tert-butyl-5-hydroxyphenyl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
Synonyms CHEBI:806895
InChi InChI=1S/C28H38F2N2O3/c1-18(33)32-25(12-19-10-22(29)16-23(30)11-19)26(35)17-31-28(8-6-5-7-9-28)21-13-20(27(2,3)4)14-24(34)15-21/h10-11,13-16,25-26,31,34-35H,5-9,12,17H2,1-4H3,(H,32,33)/t25-,26+/m0/s1
InChiKey ACFCAAGMGYDSTG-IZZNHLLZSA-N
Formula C28H38F2N2O3 Molecular Weight 488.61
Cross Link CHEMBL1257891
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
 

 

48708 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', 'CFAMM00455192'),None, txtsearch, CFAMM00455192|