CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00303739" 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 CFAMM00303739
Family CFFID4179 Bombesin receptor subtype-3 and Gastrin-releasing peptide receptor Ligand [(n4-bzdig)0]bb(7-14) Family
Superfamily CFSCD507 NS5A protein Inhibitor Bms 790052 Superfamily
Class CFCCD357 Class 1170
External ID CHEMBL412358 External Source CHEMBL
PubChem CID 44317254 Functional Category Bioactive
Molecule Name (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-[[(2S)-2-(butylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N'-(diaminomethylidene)pentanediamide
IUPAC Name (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-[[(2S)-2-(butylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N'-(diaminomethylidene)pentanediamide
Synonyms CHEBI:226737
InChi InChI=1S/C38H50N12O6/c1-2-3-15-43-29(18-25-20-42-22-46-25)36(55)48-30(16-23-9-5-4-6-10-23)37(56)47-28(13-14-33(52)50-38(40)41)35(54)49-31(34(53)45-21-32(39)51)17-24-19-44-27-12-8-7-11-26(24)27/h4-12,19-20,22,28-31,43-44H,2-3,13-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,56)(H,48,55)(H,49,54)(H4,40,41,50,52)/t28-,29-,30+,31-/m0/s1
InChiKey FLOBYZUSYAXMOM-MBEDZMRZSA-N
Formula C38H50N12O6 Molecular Weight 770.88
Cross Link CHEMBL412358
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
 

 

27669 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', 'CFAMM00303739'),None, txtsearch, CFAMM00303739|