About: Time dependent Root Mean Square Deviation of GalR1, GalR2 and GalR3 upon binding of [I] GalR1 and 1 in purple, GalR2 and 1 in blue and GalR3 and 1 in red

PDB ID – not available

Theoretical investigation of selective ligand binding mode of galanin receptors

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Details.

Scientist
Salman Ali Khan,Komal Zia,Sajda Ashraf,Alamgir Khan &Zaheer Ul-Haq
Protein
GalR1, GalR2 and GalR3
Ligand
2,3-dihydro-2-(4-methylphenyl)-1,4-dithiepine1,1,4,4-tetroxide
Simulation Duration
200-ns
InChIKey
DRLFMBDRBRZALE-UHFFFAOYSA-N
SMILES
CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
Molecular Formula
C13H16N2O2
Protein Details
neuropeptide galanin receptors, GalR1, GalR2, and GalR3, was determined in areas of the mouse brain involved in drug addiction, including the ventral tegmental area (VTA), substantia nigra (SN), nucleus accumbens (NA), and locus coeruleus (LC)
Ligand Details
The compound 2,3-dihydro-2-(4-methylphenyl)-1,4-dithiepine-1,1,4,4-tetroxide, a submicromolar antagonist.
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