CFam Chemical Families Database
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You are searching for "CFAMM00345764" 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 CFAMM00345764
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 CHEMBL23160 External Source CHEMBL
PubChem CID 44458680 Functional Category Bioactive
Molecule Name (3S)-3-hydroxy-6-methyl-N-(2-methylbutyl)-4-[[7-(methylcarbamothioylamino)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]heptanoyl]amino]heptanamide
IUPAC Name (3S)-3-hydroxy-6-methyl-N-(2-methylbutyl)-4-[[7-(methylcarbamothioylamino)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]heptanoyl]amino]heptanamide
Synonyms CHEBI:129581
InChi InChI=1S/C46H63N5O4S/c1-6-32(4)30-49-43(53)29-42(52)41(26-31(2)3)51-45(55)40(24-8-7-13-25-48-46(56)47-5)50-44(54)37(27-35-20-14-18-33-16-9-11-22-38(33)35)28-36-21-15-19-34-17-10-12-23-39(34)36/h9-12,14-23,31-32,37,40-42,52H,6-8,13,24-30H2,1-5H3,(H,49,53)(H,50,54)(H,51,55)(H2,47,48,56)/t32?,40?,41?,42-/m0/s1
InChiKey XMPIKRAPEVQBFH-SAKJEASGSA-N
Formula C46H63N5O4S Molecular Weight 782.09
Cross Link CHEMBL23160
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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