CFam Chemical Families Database
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You are searching for "CFAMM00296505" in compound.

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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 CFAMM00296505
Family CFFID3713 Delta-type opioid receptor and Mu-type opioid receptor Ligand H-dmt-tic-lys(z)-nh-ch2-ph Family
Superfamily CFSID451 Mu-type opioid receptor and Delta-type opioid receptor Binder Superfamily
Class CFCID314 Class 1664
External ID CHEMBL190543 External Source CHEMBL
PubChem CID 44399176 Functional Category Bioactive
Molecule Name benzyl N-[(5S)-6-amino-5-[[(2S)-2-[[2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-6-oxohexyl]carbamate
IUPAC Name benzyl N-[(5S)-6-amino-5-[[(2S)-2-[[2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-6-oxohexyl]carbamate
Synonyms CHEBI:419083
InChi InChI=1S/C44H52N6O7/c1-28-21-34(51)22-29(2)35(28)25-36(45)43(55)50-26-33-18-10-9-17-32(33)24-39(50)42(54)49-38(23-30-13-5-3-6-14-30)41(53)48-37(40(46)52)19-11-12-20-47-44(56)57-27-31-15-7-4-8-16-31/h3-10,13-18,21-22,36-39,51H,11-12,19-20,23-27,45H2,1-2H3,(H2,46,52)(H,47,56)(H,48,53)(H,49,54)/t36?,37-,38-,39?/m0/s1
InChiKey PEEGTDLCSQGWIL-FTRCPCMCSA-N
Formula C44H52N6O7 Molecular Weight 776.92
Cross Link CHEMBL190543
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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