CFam Chemical Families Database
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You are searching for "CFAMM00324738" in compound.

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CFAM Mol ID CFAMM00324738
Family CFFBM1539 Neprilysin and Angiotensin-converting enzyme inhibitor AGN-PC-0745FG family
Superfamily CFSID1525 Proto-oncogene tyrosine-protein kinase Src Inhibitor Ac-cys-ile-tyr-lys-phe(4-i)-tyr Superfamily
Class CFCID978 Class 2328
External ID CHEMBL113341 External Source CHEMBL
PubChem CID 44340978 Functional Category Bioactive
Molecule Name (2S)-2-[[2-[[(2S)-2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-3-methylpentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoic acid
IUPAC Name (2S)-2-[[2-[[(2S)-2-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-3-methylpentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoic acid
Synonyms CHEBI:285248
InChi InChI=1S/C34H45N3O5S2/c1-5-24(2)31(36-33(39)23-44-22-25-13-15-28(42-3)16-14-25)20-37(21-32(38)35-30(34(40)41)17-18-43-4)19-27-11-8-10-26-9-6-7-12-29(26)27/h6-16,24,30-31H,5,17-23H2,1-4H3,(H,35,38)(H,36,39)(H,40,41)/t24?,30-,31+/m0/s1
InChiKey DEDIUQJQNGGRTH-VHHLQSIKSA-N
Formula C34H45N3O5S2 Molecular Weight 639.87
Cross Link CHEMBL113341
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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