CFam Chemical Families Database
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You are searching for "CFAMM00371867" in compound.

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CFAM Mol ID CFAMM00371867
Family CFFBM6347 Integrin beta-1 and Integrin alpha-4 inhibitor (3R)-3-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-methylsulfonylphenyl)propanoic acid family
Superfamily CFSBM3613 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 4
Class CFCBM87 Class 3137
External ID CHEMBL349128 External Source CHEMBL
PubChem CID 44370853 Functional Category Bioactive
Molecule Name (E,3R)-3-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]hex-4-enoic acid
IUPAC Name (E,3R)-3-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]hex-4-enoic acid
Synonyms CHEBI:360102
InChi InChI=1S/C17H20Cl2N2O5S/c1-2-4-13(10-16(22)23)20-17(24)15-5-3-6-21(15)27(25,26)14-8-11(18)7-12(19)9-14/h2,4,7-9,13,15H,3,5-6,10H2,1H3,(H,20,24)(H,22,23)/b4-2+/t13-,15-/m0/s1
InChiKey UDROVIMBUDJOKK-GBJFIMJBSA-N
Formula C17H20Cl2N2O5S Molecular Weight 435.32
Cross Link CHEMBL349128
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
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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