CFam Chemical Families Database
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You are searching for "CFAMM00345743" 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 CFAMM00345743
Family CFFBM3345 Renin and Cathepsin D inhibitor (3S)-4-[[6-acetamido-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]hex-4-ynoyl]amino]-3-hydroxy-6-methyl-N-(2-methylbutyl)heptanamide family
Superfamily CFSBM1911 Renin and Cathepsin D Binder Superfamily
Class CFCID697 Class 2047
External ID CHEMBL266058 External Source CHEMBL
PubChem CID 44265607 Functional Category Bioactive
Molecule Name (3R,4R)-4-[[2-(ethylamino)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]acetyl]amino]-3-hydroxy-6-methyl-N-[(2S)-2-methylbutyl]heptanamide
IUPAC Name (3R,4R)-4-[[2-(ethylamino)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]acetyl]amino]-3-hydroxy-6-methyl-N-[(2S)-2-methylbutyl]heptanamide
Synonyms CHEBI:104618
InChi InChI=1S/C41H54N4O4/c1-6-28(5)26-43-38(47)25-37(46)36(22-27(3)4)44-41(49)39(42-7-2)45-40(48)33(23-31-18-12-16-29-14-8-10-20-34(29)31)24-32-19-13-17-30-15-9-11-21-35(30)32/h8-21,27-28,33,36-37,39,42,46H,6-7,22-26H2,1-5H3,(H,43,47)(H,44,49)(H,45,48)/t28-,36+,37+,39?/m0/s1
InChiKey VPYUWYGKAFARRA-SQYNCZPISA-N
Formula C41H54N4O4 Molecular Weight 666.89
Cross Link CHEMBL266058
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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