CFam Chemical Families Database
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You are searching for "CFAMM00371865" in compound.

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CFAM Mol ID CFAMM00371865
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 CHEMBL156498 External Source CHEMBL
PubChem CID 44370979 Functional Category Bioactive
Molecule Name (3R)-3-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-methylsulfonylphenyl)propanoic acid
IUPAC Name (3R)-3-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-methylsulfonylphenyl)propanoic acid
Synonyms CHEBI:360405
InChi InChI=1S/C21H22Cl2N2O7S2/c1-33(29,30)16-6-4-13(5-7-16)18(12-20(26)27)24-21(28)19-3-2-8-25(19)34(31,32)17-10-14(22)9-15(23)11-17/h4-7,9-11,18-19H,2-3,8,12H2,1H3,(H,24,28)(H,26,27)/t18-,19+/m1/s1
InChiKey WFNCDDGCGNUXLG-MOPGFXCFSA-N
Formula C21H22Cl2N2O7S2 Molecular Weight 549.44
Cross Link CHEMBL156498
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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