Drug Information

Drug General Information
Drug ID
D0W3PR
Former ID
DNC010169
Drug Name
Tyr-Pro-Trp-D-Ala-Bn
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530314]
Structure
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2D MOL

3D MOL
Formula
C35H40N6O5
Canonical SMILES
CC(C(=O)NCC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)<br />C4CCCN4C(=O)C(CC5=CC=C(C=C5)O)N
InChI
1S/C35H40N6O5/c1-22(32(43)38-20-24-8-3-2-4-9-24)39-33(44)30(19-25-21-37-29-11-6-5-10-27(25)29)40-34(45)31-12-7-17-41(31)35(46)28(36)18-23-13-15-26(42)16-14-23/h2-6,8-11,13-16,21-22,28,30-31,37,42H,7,12,17-20,36H2,1H3,(H,38,43)(H,39,44)(H,40,45)/t22-,28+,30+,31+/m1/s1
InChIKey
IRQJYTHTLNHEDS-QVBNWNEOSA-N
PubChem Compound ID
44555372
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [530314]
KEGG Pathway Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addiction
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Enkephalin release
Pathway Interaction Database IL4-mediated signaling events
Reactome Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways TCR Signaling Pathway
GPCRs, Class A Rhodopsin-like
Peptide GPCRs
Opioid Signalling
GPCR ligand binding
GPCR downstream signaling
References
Ref 530314Bioorg Med Chem Lett. 2009 Sep 15;19(18):5387-91. Epub 2009 Jul 30.Molecular modeling studies to predict the possible binding modes of endomorphin analogs in mu opioid receptor.
Ref 530314Bioorg Med Chem Lett. 2009 Sep 15;19(18):5387-91. Epub 2009 Jul 30.Molecular modeling studies to predict the possible binding modes of endomorphin analogs in mu opioid receptor.

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