CFam Chemical Families Database
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You are searching for "CFAMM00471669" in compound.

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CFAM Mol ID CFAMM00471669
Family CFFBM24786 Beta-secretase 1 inhibitor 3-[[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-2-[[(2S,3S)-3-methyl-2-(oxane-2-carbonylamino)pentanoyl]amino]propanoyl]amino]heptanoyl]amino]-3-methylbutanoyl]amino]methyl]benzoic acid family
Superfamily CFSBM686 Plasmepsin-2 and Plasmepsin-1 Binder Superfamily
Class CFCCD110 Class 923
External ID CHEMBL324109 External Source CHEMBL
PubChem CID 44343266 Functional Category Bioactive
Molecule Name 4-[[[(2S)-2-[[(3S)-4-[[(3S,4S)-4-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxy-6-methyloctanoyl]amino]-3-hydroxy-6-methylsulfanylhexanoyl]amino]-3-methylbutanoyl]amino]methyl]benzoic acid
IUPAC Name 4-[[[(2S)-2-[[(3S)-4-[[(3S,4S)-4-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxy-6-methyloctanoyl]amino]-3-hydroxy-6-methylsulfanylhexanoyl]amino]-3-methylbutanoyl]amino]methyl]benzoic acid
Synonyms CHEBI:290795
InChi InChI=1S/C37H61N5O9S/c1-9-23(6)17-28(41-35(48)29(16-21(2)3)39-24(7)43)31(45)19-32(46)40-27(14-15-52-8)30(44)18-33(47)42-34(22(4)5)36(49)38-20-25-10-12-26(13-11-25)37(50)51/h10-13,21-23,27-31,34,44-45H,9,14-20H2,1-8H3,(H,38,49)(H,39,43)(H,40,46)(H,41,48)(H,42,47)(H,50,51)/t23?,27?,28-,29-,30-,31-,34-/m0/s1
InChiKey YQMQMGGGCAAQDG-WCMJDDJTSA-N
Formula C37H61N5O9S Molecular Weight 751.97
Cross Link CHEMBL324109
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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