CFam Chemical Families Database
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You are searching for "CFAMM00301899" 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 CFAMM00301899
Family CFFID4056 Cholecystokinin receptor type A Ligand CR-1795 Family
Superfamily CFSID1755 Kappa-type opioid receptor and Delta-type opioid receptor Binder Superfamily 6
Class CFCCD71 Class 884
External ID CHEMBL583488 External Source CHEMBL
PubChem CID 45484033 Functional Category Bioactive
Molecule Name (2S)-2-[[(2S)-2-[[(3S)-2-[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
IUPAC Name (2S)-2-[[(2S)-2-[[(3S)-2-[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
Synonyms CHEBI:674847
InChi InChI=1S/C40H43N5O6/c1-24-17-30(36(42)46)18-25(2)31(24)22-32(41)39(49)45-23-29-16-10-9-15-28(29)21-35(45)38(48)43-33(19-26-11-5-3-6-12-26)37(47)44-34(40(50)51)20-27-13-7-4-8-14-27/h3-18,32-35H,19-23,41H2,1-2H3,(H2,42,46)(H,43,48)(H,44,47)(H,50,51)/t32-,33-,34-,35-/m0/s1
InChiKey NMSIZUSNGCYUNV-BBACVFHCSA-N
Formula C40H43N5O6 Molecular Weight 689.80
Cross Link CHEMBL583488
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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