CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00039672" 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 CFAMM00039672
Family CFFAD224 Oxytocin receptor Ligand Oxytocin Family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID CHEMBL359961 External Source CHEMBL
PubChem CID 44392483 Functional Category Bioactive
Molecule Name (2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-N-[(3S,6R,9S,12R,15S)-3-benzyl-9,12-bis(hydroxymethyl)-6-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetrazacyclohexadec-15-yl]-3-hydroxybutanamide
IUPAC Name (2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-N-[(3S,6R,9S,12R,15S)-3-benzyl-9,12-bis(hydroxymethyl)-6-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetrazacyclohexadec-15-yl]-3-hydroxybutanamide
Synonyms CHEBI:405629
InChi InChI=1S/C40H56N8O13S/c1-20(2)13-26-34(55)43-27(15-22-7-5-4-6-8-22)40(61)62-19-31(38(59)46-29(17-50)36(57)45-28(16-49)35(56)42-26)47-39(60)32(21(3)52)48-37(58)30(18-51)44-33(54)25(41)14-23-9-11-24(53)12-10-23/h4-12,20-21,25-32,49-53H,13-19,41H2,1-3H3,(H,42,56)(H,43,55)(H,44,54)(H,45,57)(H,46,59)(H,47,60)(H,48,58)/t21-,25+,26-,27+,28+,29-,30+,31-,32+/m1/s1
InChiKey XGDDIYHUJYWFFZ-NBPZMBJASA-N
Formula C40H56N8O13S Molecular Weight 888.98
Cross Link CHEMBL359961
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
 

 

60877 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', 'CFAMM00039672'),None, txtsearch, CFAMM00039672|