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Yorodumi- ChemComp-P21: 4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: P21 |
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Name | Name: |
-Chemical information
Composition | Formula: C24H31ClN2O2 / Number of atoms: 60 / Formula weight: 414.968 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: P21 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2VD4 | ||||||
History |
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External links | UniChem / ChemSpider / DrugBank / PubChem / ZINC / 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 1 items
PDB-2vd4:
Structure of small-molecule inhibitor of Glmu from Haemophilus influenzae reveals an allosteric binding site