+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 11X |
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Name | Name: |
-Chemical information
Composition | Formula: C12H12N2 / Number of atoms: 26 / Formula weight: 184.237 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 11X / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3EJ0 | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / DrugBank / Nikkaji / PubChem / SureChEMBL / ZINC / 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 3 items
PDB-3ej0:
Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound N-(pyridin-3-ylmethyl) aniline, H32 crystal form
PDB-3ftv:
Leukotriene A4 hydrolase in complex with fragment N-(pyridin-3-ylmethyl)aniline
PDB-3ftw:
Leukotriene A4 hydrolase in complex with fragments N-(pyridin-3-ylmethyl)aniline and acetate