CFam Chemical Families Database
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You are searching for "CFAMM00219222" 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.

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CFAM Mol ID CFAMM00219222
Family CFFID823 Macrophage metalloelastase Inhibitor PF-00356231 Family
Superfamily CFSID676 Macrophage metalloelastase Inhibitor PF-00356231 Superfamily
Class CFCID477 Class 1827
External ID CHEMBL331766 External Source CHEMBL
PubChem CID 10792837 Functional Category Bioactive
Molecule Name (2S)-2-[[4-[[benzoyl(pyridin-3-yl)amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
IUPAC Name (2S)-2-[[4-[[benzoyl(pyridin-3-yl)amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
Synonyms CHEBI:301164
InChi InChI=1S/C32H31N3O4S/c1-22-9-6-7-13-26(22)28-19-23(14-15-27(28)30(36)34-29(32(38)39)16-18-40-2)21-35(25-12-8-17-33-20-25)31(37)24-10-4-3-5-11-24/h3-15,17,19-20,29H,16,18,21H2,1-2H3,(H,34,36)(H,38,39)/t29-/m0/s1
InChiKey XOYOSNAWCJGFIQ-LJAQVGFWSA-N
Formula C32H31N3O4S Molecular Weight 553.67
Cross Link CHEMBL331766
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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