CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00003030" 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 CFAMM00003030
Family CFFAD18 Vasopressin V2 receptor ligand peptide analog Desmopressin family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID CHEMBL412922 External Source CHEMBL
PubChem CID 15981504 Functional Category Bioactive
Molecule Name (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxamide
IUPAC Name (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxamide
Synonyms CHEBI:493378
InChi InChI=1S/C37H45N5O5/c1-4-17-39-32(23-29-24(2)19-28(43)20-25(29)3)37(47)42-18-11-16-33(42)36(46)41-31(22-27-14-9-6-10-15-27)35(45)40-30(34(38)44)21-26-12-7-5-8-13-26/h4-10,12-15,19-20,30-33,39,43H,1,11,16-18,21-23H2,2-3H3,(H2,38,44)(H,40,45)(H,41,46)/t30-,31-,32-,33-/m0/s1
InChiKey PBEKHMJUJBBTHM-YRCZKMHPSA-N
Formula C37H45N5O5 Molecular Weight 639.78
Cross Link CHEMBL412922
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
 

 

67783 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', 'CFAMM00003030'),None, txtsearch, CFAMM00003030|