+Open data
-Basic information
Entry | Database: PDB chemical components / ID: X94 | ||
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Name | Name: Comment | medication, inhibitor*YM | |
-BIRD information
Type | Peptide-like / Enzyme inhibitor |
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Downloads | Molecular definition / Chemical definition |
-Chemical information
Composition | Formula: C17H28N2O5 / Number of atoms: 52 / Formula weight: 340.415 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: X94 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2X94 / Subcomponent: LEA, ALA, OIC | ||||||
History |
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External links | UniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / Metabolights / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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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 1.6.1 | ( | |
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-PDB entries
Showing all 1 items
PDB-2x94:
Crystal structure of AnCE-perindoprilat complex