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Yorodumi- ChemComp-9SC: 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihy... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9SC | ||
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Name | Name: Synonyms: Aripiprazole Comment | antipsychotic*YM | |
-Chemical information
Composition | Formula: C23H27Cl2N3O2 / Number of atoms: 57 / Formula weight: 448.385 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9SC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6A7P | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Metabolights / 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 2.0.6 | |
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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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-PDB entries
Showing all 5 items
PDB-6a7p:
Human serum albumin complexed with aripiprazole
PDB-7e2z:
Aripiprazole-bound serotonin 1A (5-HT1A) receptor-Gi protein complex
PDB-7voe:
Crystal structure of 5-HT2AR in complex with aripiprazole
PDB-7vr9:
Crystal structure of human serum albumin complex with aripiprazole and myristic acid
PDB-7wkz:
Crystal structure of the HSA complex with mycophenolate and aripiprazole