CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00381330" 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 CFAMM00381330
Family CFFBM7577 Tryptase alpha/beta-1 inhibitor methyl 3-[3-(aminomethyl)phenyl]-2-[3-[[2-[(2S,5R)-5-[2-[[3-[[3-[3-(aminomethyl)phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-3-oxopropyl]amino]-2-oxoethyl]-3,6-dioxopiperazin-2-yl]acetyl]amino]propanoylamino]propanoate family
Superfamily CFSBM4213 Cholinesterase and Acetylcholinesterase Binder Superfamily 9
Class CFCAD506 Class 506
External ID CHEMBL173659 External Source CHEMBL
PubChem CID 44386111 Functional Category Bioactive
Molecule Name methyl 3-[3-(aminomethyl)phenyl]-2-[3-[(2S,5R)-5-[2-[[2-[[3-[3-(aminomethyl)phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3,6-dioxopiperazin-2-yl]propanoylamino]propanoate
IUPAC Name methyl 3-[3-(aminomethyl)phenyl]-2-[3-[(2S,5R)-5-[2-[[2-[[3-[3-(aminomethyl)phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-3,6-dioxopiperazin-2-yl]propanoylamino]propanoate
Synonyms CHEBI:393232
InChi InChI=1S/C33H43N7O9/c1-48-32(46)25(13-19-5-3-7-21(11-19)16-34)37-27(41)10-9-23-30(44)40-24(31(45)39-23)15-28(42)36-18-29(43)38-26(33(47)49-2)14-20-6-4-8-22(12-20)17-35/h3-8,11-12,23-26H,9-10,13-18,34-35H2,1-2H3,(H,36,42)(H,37,41)(H,38,43)(H,39,45)(H,40,44)/t23-,24+,25?,26?/m0/s1
InChiKey UUIRCTHWPGTOIL-BZPMOENQSA-N
Formula C33H43N7O9 Molecular Weight 681.74
Cross Link CHEMBL173659
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
 

 

27759 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', 'CFAMM00381330'),None, txtsearch, CFAMM00381330|