Drug Information

Drug General Information
Drug ID
D0R6VX
Former ID
DNC010171
Drug Name
Tyr-Pro-Trp-Gly-Bn
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530314]
Structure
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2D MOL

3D MOL
Formula
C34H38N6O5
Canonical SMILES
C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)N)C(=O)NC(CC3=CNC4=CC=<br />CC=C43)C(=O)NCC(=O)NCC5=CC=CC=C5
InChI
1S/C34H38N6O5/c35-27(17-22-12-14-25(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(18-24-20-36-28-10-5-4-9-26(24)28)32(43)38-21-31(42)37-19-23-7-2-1-3-8-23/h1-5,7-10,12-15,20,27,29-30,36,41H,6,11,16-19,21,35H2,(H,37,42)(H,38,43)(H,39,44)/t27-,29-,30-/m0/s1
InChIKey
BDVRZLFOEXKBFR-BKHJTQGXSA-N
PubChem Compound ID
45487601
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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