Drug Information

Drug General Information
Drug ID
D0F8CD
Former ID
DNC010170
Drug Name
Tyr-Pro-Phe-D-Ala-Bn
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530314]
Structure
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2D MOL

3D MOL
Formula
C33H39N5O5
Canonical SMILES
CC(C(=O)NCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN<br />3C(=O)C(CC4=CC=C(C=C4)O)N
InChI
1S/C33H39N5O5/c1-22(30(40)35-21-25-11-6-3-7-12-25)36-31(41)28(20-23-9-4-2-5-10-23)37-32(42)29-13-8-18-38(29)33(43)27(34)19-24-14-16-26(39)17-15-24/h2-7,9-12,14-17,22,27-29,39H,8,13,18-21,34H2,1H3,(H,35,40)(H,36,41)(H,37,42)/t22-,27+,28+,29+/m1/s1
InChIKey
FFJZWXQQTXSXFM-GDNYIZLESA-N
PubChem Compound ID
45487600
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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