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Yorodumi- ChemComp-IHE: 6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-1-YL)-ETHYL]-9H-PURIN... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: IHE |
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Name | Name: Synonyms: NVP-ABE854 |
-Chemical information
Composition | Formula: C19H28N8 / Number of atoms: 55 / Formula weight: 368.479 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: IHE / Model coordinates PDB-ID: 1U9V | ||||||
History |
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External links | BindingDB / UniChem / Brenda / ChEMBL / DrugBank / PubChem / PubChem_TPharma / 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 1 items
PDB-1u9v:
Crystal Structure of the Cysteine Protease Human Cathepsin K in Complex with the Covalent Inhibitor NVP-ABE854