CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00381319" 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 CFAMM00381319
Family CFFBM7575 Interstitial collagenase and Matrilysin inhibitor (2S,3R)-N,2-dihydroxy-N'-[(2S)-1-(1H-indol-3-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide family
Superfamily CFSBM665 Interstitial collagenase and Matrilysin Binder Superfamily
Class CFCAD295 Class 295
External ID ZINC32124246 External Source ZINC
PubChem CID 39378089 Functional Category Natural Product
Molecule Name (S)-methyl 2-(2-(3-acetyl-1H-indol-1-yl)acetamido)-4-(methylthio)butanoate
IUPAC Name methyl (2S)-2-[[2-(3-acetylindol-1-yl)acetyl]amino]-4-methylsulfanylbutanoate
Synonyms MolPort-008-347-518;ZINC32124246;MCULE-7657508674
InChi InChI=1S/C18H22N2O4S/c1-12(21)14-10-20(16-7-5-4-6-13(14)16)11-17(22)19-15(8-9-25-3)18(23)24-2/h4-7,10,15H,8-9,11H2,1-3H3,(H,19,22)/t15-/m0/s1
InChiKey KCDCVNMIRYUPFM-HNNXBMFYSA-N
Formula C18H22N2O4S Molecular Weight 362.44
Cross Link
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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