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Yorodumi- ChemComp-CXX: 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: CXX | ||
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Name | Name: Synonyms: 3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine Comment | antidepressant*YM | |
-Chemical information
Composition | Formula: C19H23ClN2 / Number of atoms: 45 / Formula weight: 314.852 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CXX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2Q6H | ||||||||
History |
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External links | ChEBI / UniChem / BindingDB / Brenda / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / 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 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 4 items
PDB-2q6h:
Crystal Structure Analysis of LeuT complexed with L-leucine, sodium, and clomipramine
PDB-2qei:
Crystal structure analysis of LeuT complexed with L-alanine, sodium, and clomipramine
PDB-4mma:
Crystal structure of LeuBAT (delta13 mutant) in complex with clomipramine
PDB-6g9i:
Crystal structure of Ebolavirus glycoprotein in complex with clomipramine