CFam Chemical Families Database
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You are searching for "CFAMM00295280" in compound.

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CFAM Mol ID CFAMM00295280
Family CFFID3642 Endothelin B receptor Ligand IRL-2500 Family
Superfamily CFSAD718 Bacterial outer membrane Inhibitor Daptomycin Superfamily
Class CFCAD647 Class 647
External ID CHEMBL322893 External Source CHEMBL
PubChem CID 44332065 Functional Category Bioactive
Molecule Name (2S)-1-[2-[2-cyclohexylethyl-[(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
IUPAC Name (2S)-1-[2-[2-cyclohexylethyl-[(2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
Synonyms CHEBI:265348
InChi InChI=1S/C31H44N4O5/c1-2-3-13-26(33-28(36)19-23-20-32-25-14-8-7-12-24(23)25)30(38)34(18-16-22-10-5-4-6-11-22)21-29(37)35-17-9-15-27(35)31(39)40/h7-8,12,14,20,22,26-27,32H,2-6,9-11,13,15-19,21H2,1H3,(H,33,36)(H,39,40)/t26-,27-/m0/s1
InChiKey DZCFCLYSRSQGJQ-SVBPBHIXSA-N
Formula C31H44N4O5 Molecular Weight 552.70
Cross Link CHEMBL322893
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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