+Open data
-Basic information
Entry | Database: PDB chemical components / ID: GEQ |
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Name | Name: Synonyms: GENZ-10850 |
-Chemical information
Composition | Formula: C26H23N3O / Number of atoms: 53 / Formula weight: 393.48 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GEQ / Model coordinates PDB-ID: 1P44 | ||||||||
History |
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External links | BindingDB / UniChem / Brenda / ChEMBL / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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-1p44:
Targeting tuberculosis and malaria through inhibition of enoyl reductase: compound activity and structural data