CFam Chemical Families Database
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You are searching for "CFAMM00428593" in compound.

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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 CFAMM00428593
Family CFFBM14453 Stromelysin-1 and 72 kDa type IV collagenase inhibitor (2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]carbamoyl]-6-[4-(4-fluorophenyl)phenyl]hexanoic acid family
Superfamily CFSID605 Cathepsin K and Cathepsin S Binder Superfamily
Class CFCCD314 Class 1127
External ID CHEMBL356343 External Source CHEMBL
PubChem CID 10596751 Functional Category Bioactive
Molecule Name (2S)-2-[[1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]cyclopentanecarbonyl]amino]-3-pyridin-2-ylpropanoic acid
IUPAC Name (2S)-2-[[1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]cyclopentanecarbonyl]amino]-3-pyridin-2-ylpropanoic acid
Synonyms CHEBI:344628
InChi InChI=1S/C19H27N3O4S/c1-12(2)15(27)16(23)22-19(8-4-5-9-19)18(26)21-14(17(24)25)11-13-7-3-6-10-20-13/h3,6-7,10,12,14-15,27H,4-5,8-9,11H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15-/m0/s1
InChiKey ONUMXEXBJUQLSU-GJZGRUSLSA-N
Formula C19H27N3O4S Molecular Weight 393.50
Cross Link CHEMBL356343
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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