CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00048121" 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 CFAMM00048121
Family CFFAD298 Parathyroid hormone/parathyroid hormone-related peptide receptor ligand peptide Teriparatide Family
Superfamily CFSAD20 Peptide hormone receptor bindng peptide Superfamily
Class CFCAD20 Class 20
External ID CHEMBL88185 External Source CHEMBL
PubChem CID 44322786 Functional Category Bioactive
Molecule Name (2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(methanesulfonamido)propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
IUPAC Name (2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(methanesulfonamido)propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
Synonyms CHEBI:244002
InChi InChI=1S/C33H43N11O6S/c1-51(49,50)44-28(16-22-18-37-19-40-22)32(48)43-27(14-20-8-3-2-4-9-20)31(47)41-25(12-7-13-38-33(35)36)30(46)42-26(29(34)45)15-21-17-39-24-11-6-5-10-23(21)24/h2-6,8-11,17-19,25-28,39,44H,7,12-16H2,1H3,(H2,34,45)(H,37,40)(H,41,47)(H,42,46)(H,43,48)(H4,35,36,38)/t25-,26-,27-,28-/m0/s1
InChiKey IGSPGKUFVFMXQE-LJWNLINESA-N
Formula C33H43N11O6S Molecular Weight 721.83
Cross Link CHEMBL88185
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
 

 

27293 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', 'CFAMM00048121'),None, txtsearch, CFAMM00048121|