+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 536 |
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Name | Name: |
-Chemical information
Composition | Formula: C13H16N2O / Number of atoms: 32 / Formula weight: 216.279 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 536 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5CPL | ||||
History |
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External links | UniChem / ChemSpider / CompTox / PubChem / 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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-5cpl:
The crystal structure of Xenobiotic reductase A (XenA) from Pseudomonas putida in complex with a nicotinamide mimic (mNH2)