+Open data
-Basic information
Entry | Database: PDB chemical components / ID: JC9 | ||
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Name | Name: ( Synonyms: Esketamine Comment | antidepressant*YM | |
-Chemical information
Composition | Formula: C13H16ClNO / Number of atoms: 32 / Formula weight: 237.725 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: JC9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7EU7 | ||||||
History |
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External links | UniChem / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 3 items
PDB-7eu7:
Structure of the human GluN1-GluN2A NMDA receptor in complex with S-ketamine, glycine and glutamate
PDB-7eu8:
Structure of the human GluN1-GluN2B NMDA receptor in complex with S-ketamine,glycine and glutamate
PDB-7sac:
S-(+)-ketamine bound GluN1a-GluN2B NMDA receptors at 3.69 Angstrom resolution