+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 6ET | ||
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Name | Name: Synonyms: N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide Comment | antagonist*YM | |
-Chemical information
Composition | Formula: C19H21ClN2O2S / Number of atoms: 46 / Formula weight: 376.9 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6ET / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5IS0 | ||||||
History |
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External links | UniChem / BindingDB / ChEBI / ChEMBL / ChemicalBook / CompTox / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / 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 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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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 2.0.4 | ~{ | |
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-PDB entries
Showing all 1 items
PDB-5is0:
Structure of TRPV1 in complex with capsazepine, determined in lipid nanodisc