+Open data
-Basic information
Entry | Database: PDB chemical components / ID: JEY |
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Name | Name: Synonyms: 2-phenylmelatonin |
-Chemical information
Composition | Formula: C19H20N2O2 / Number of atoms: 43 / Formula weight: 308.374 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JEY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6ME8 | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.6 | ~{ | |
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-PDB entries
Showing all 5 items
PDB-6me3:
XFEL crystal structure of human melatonin receptor MT1 in complex with 2-phenylmelatonin
PDB-6me6:
XFEL crystal structure of human melatonin receptor MT2 in complex with 2-phenylmelatonin
PDB-6me7:
XFEL crystal structure of human melatonin receptor MT2 (H208A) in complex with 2-phenylmelatonin
PDB-6me8:
XFEL crystal structure of human melatonin receptor MT2 (N86D) in complex with 2-phenylmelatonin
PDB-6ps8:
XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin.