CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00389483" 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 CFAMM00389483
Family CFFBM8646 Integrin beta-1 and Integrin alpha-4 inhibitor (4S)-4-[benzenesulfonyl(methyl)amino]-5-[[(1S)-1-carboxy-2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethyl]amino]-5-oxopentanoic acid family
Superfamily CFSBM3534 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 3
Class CFCID1105 Class 2455
External ID CHEMBL338200 External Source CHEMBL
PubChem CID 44350598 Functional Category Bioactive
Molecule Name (2S)-2-[[2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetyl]amino]-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
IUPAC Name (2S)-2-[[2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetyl]amino]-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
Synonyms CHEBI:309545
InChi InChI=1S/C26H23Cl2FN2O8S/c27-21-2-1-3-22(28)20(21)15-39-18-8-4-16(5-9-18)12-23(26(35)36)30-24(32)13-31(14-25(33)34)40(37,38)19-10-6-17(29)7-11-19/h1-11,23H,12-15H2,(H,30,32)(H,33,34)(H,35,36)/t23-/m0/s1
InChiKey KFKKFCVUQZXZEI-QHCPKHFHSA-N
Formula C26H23Cl2FN2O8S Molecular Weight 613.44
Cross Link CHEMBL338200
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
 

 

27509 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', 'CFAMM00389483'),None, txtsearch, CFAMM00389483|