+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 68W |
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Name | Name: |
-Chemical information
Composition | Formula: C20H16N2O3 / Number of atoms: 41 / Formula weight: 332.353 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 68W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5I7R | ||||
History |
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External links | UniChem / ChemSpider / Brenda / ChEMBL / PubChem / 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 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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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 2.0.4 | |
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-PDB entries
Showing all 1 items
PDB-5i7r:
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 2 [3-(3-([1,1'-biphenyl]-3-yl)ureido)benzoic acid]