About: RMSD plot along the path of MD simulations. The protein backbone plot is colored black, but the ligand plots are colored in different ways.(C) RMSDs of the A2AAR-ZINC00000416 system

3QAK

Identification of Novel Chemical Entities for Adenosine Receptor Type 2A Using Molecular Modeling Approaches

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Details.

Scientist
Jorddy Neves
Protein
A2AAR
Ligand
ZINC00000416 system
Simulation Duration
100ns
InChIKey
N/A
SMILES
N/A
Molecular Formula
N/A
Protein Details
a key modulator of neurotransmitters, in the cardiovascular system as regulating vasodilation (3), and in the immune system as a T-cell surface immune checkpoint pro- tein
Ligand Details
involves in drug activities having low potential
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