CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00352740" 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 CFAMM00352740
Family CFFBM4065 Neutrophil collagenase and Stromelysin-1 inhibitor AGN-PC-075ODY family
Superfamily CFSBM512 Disintegrin and metalloproteinase domain-containing protein 17 and Interstitial collagenase Binder Superfamily
Class CFCBM198 Class 3248
External ID CHEMBL417926 External Source CHEMBL
PubChem CID 10554637 Functional Category Bioactive
Molecule Name [(3R)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl] 4-methoxybenzenesulfonate
IUPAC Name [(3R)-3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl] 4-methoxybenzenesulfonate
Synonyms CHEBI:187893
InChi InChI=1S/C24H24N2O9S2/c1-33-18-5-9-21(10-6-18)36(29,30)26-15-17-13-20(4-3-16(17)14-23(26)24(27)25-28)35-37(31,32)22-11-7-19(34-2)8-12-22/h3-13,23,28H,14-15H2,1-2H3,(H,25,27)/t23-/m1/s1
InChiKey BXZZUNDHINECCH-HSZRJFAPSA-N
Formula C24H24N2O9S2 Molecular Weight 548.59
Cross Link CHEMBL417926
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
 

 

27397 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', 'CFAMM00352740'),None, txtsearch, CFAMM00352740|