+Open data
-Basic information
Entry | Database: PDB chemical components / ID: QCM | ||
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Name | Name: Synonyms: {6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate Comment | medication, antineoplastic, antiinflammatory, inhibitor*YM | |
-Chemical information
Composition | Formula: C24H27N3O4 / Number of atoms: 58 / Formula weight: 421.489 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: QCM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6UOC | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / 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 2.0.7 | |
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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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-SYSTEMATIC NAME
ACDLabs 12.01 | {OpenEye OEToolkits 2.0.7 | [ | |
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-PDB entries
Showing all 1 items
PDB-6uoc:
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with Givinostat