CFam Chemical Families Database
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You are searching for "CFAMM00295624" in compound.

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CFAM Mol ID CFAMM00295624
Family CFFID3655 Delta-type opioid receptor and Mu-type opioid receptor Ligand Tyr-pro-phe-phe-och2ch3 Family
Superfamily CFSCD51 Neurotensin receptor type 1 and Ceramide glucosyltransferase Binder Superfamily
Class CFCCD45 Class 858
External ID CHEMBL2371018 External Source CHEMBL
PubChem CID 73347048 Functional Category Bioactive
Molecule Name (2S)-2-[[(2R,3R)-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylbutanoyl]amino]-3-phenylpropanoic acid
IUPAC Name (2S)-2-[[(2R,3R)-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylbutanoyl]amino]-3-phenylpropanoic acid
Synonyms
InChi InChI=1S/C38H40N4O6/c1-24(27-12-6-3-7-13-27)34(36(45)40-32(38(47)48)21-25-10-4-2-5-11-25)41-35(44)33-22-28-14-8-9-15-29(28)23-42(33)37(46)31(39)20-26-16-18-30(43)19-17-26/h2-19,24,31-34,43H,20-23,39H2,1H3,(H,40,45)(H,41,44)(H,47,48)/t24-,31+,32+,33+,34-/m1/s1
InChiKey AEWCNAURTILZJX-JNSKMMGSSA-N
Formula C38H40N4O6 Molecular Weight 648.75
Cross Link CHEMBL2371018
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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