CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00220129" 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 CFAMM00220129
Family CFFID855 Cathepsin F and Cruzipain Inhibitor WRR-99 Family
Superfamily CFSID699 Cathepsin F and Cruzipain Inhibitor WRR-99 Superfamily
Class CFCID492 Class 1842
External ID CHEMBL183377 External Source CHEMBL
PubChem CID 23647293 Functional Category Bioactive
Molecule Name SureCN8270556
IUPAC Name pent-4-enyl N-[(2S)-1-[[(2S)-1-[[(4S,5S,7R)-8-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]amino]-1,4-dioxo-4-(prop-2-enylamino)butan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Synonyms amide-urethane derived inhibitor 12c
InChi InChI=1S/C40H64N6O8/c1-10-12-16-20-54-40(53)46-35(27(7)8)39(52)44-31(23-33(48)41-19-11-2)37(50)43-30(21-25(3)4)32(47)22-28(9)36(49)45-34(26(5)6)38(51)42-24-29-17-14-13-15-18-29/h10-11,13-15,17-18,25-28,30-32,34-35,47H,1-2,12,16,19-24H2,3-9H3,(H,41,48)(H,42,51)(H,43,50)(H,44,52)(H,45,49)(H,46,53)/t28-,30+,31+,32+,34+,35+/m1/s1
InChiKey FWLZPOCMXKACSJ-OQBOYPBOSA-N
Formula C40H64N6O8 Molecular Weight 756.97
Cross Link CHEMBL183377
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
 

 

68201 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', 'CFAMM00220129'),None, txtsearch, CFAMM00220129|