CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00452262" 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 CFAMM00452262
Family CFFBM19574 Pol polyprotein inhibitor methyl (2S)-2-[[(2R,4S,5S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoyl]amino]-3-methylbutanoate family
Superfamily CFSBM7606 Pol polyprotein inhibitor methyl (2S)-2-[[(2R,4S,5S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoyl]amino]-3-methylbutanoate Superfamily
Class CFCID492 Class 1842
External ID CHEMBL98228 External Source CHEMBL
PubChem CID 44328473 Functional Category Bioactive
Molecule Name methyl (2S)-2-[[(2R,4S,5S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoyl]amino]-3-methylbutanoate
IUPAC Name methyl (2S)-2-[[(2R,4S,5S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoyl]amino]-3-methylbutanoate
Synonyms
InChi InChI=1S/C36H56N2O6Si/c1-25(2)31(33(40)42-9)38-32(39)28(22-26-18-14-12-15-19-26)24-30(44-45(10,11)36(6,7)8)29(23-27-20-16-13-17-21-27)37-34(41)43-35(3,4)5/h12-21,25,28-31H,22-24H2,1-11H3,(H,37,41)(H,38,39)/t28-,29+,30+,31+/m1/s1
InChiKey JSOVZYSSXJMBSV-BHSUFKTOSA-N
Formula C36H56N2O6Si Molecular Weight 640.93
Cross Link CHEMBL98228
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
 

 

48698 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', 'CFAMM00452262'),None, txtsearch, CFAMM00452262|