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- ChemComp-0PY: pyridine -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: 0PY
NameName: pyridine / Synonyms: Azabenzene; Azine

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Chemical information

Composition
Formula: C5H5N / Number of atoms: 11 / Formula weight: 79.1 / Formal charge: 0
Others

3gup

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0PY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3GUP
History
Create componentApr 9, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsMay 26, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04n1ccccc1
CACTVS 3.341c1ccncc1
OpenEye OEToolkits 1.5.0c1ccncc1

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SMILES CANONICAL

CACTVS 3.341c1ccncc1
OpenEye OEToolkits 1.5.0c1ccncc1

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InChI

InChI 1.03InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H

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InChIKey

InChI 1.03JUJWROOIHBZHMG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04pyridine
OpenEye OEToolkits 1.5.0pyridine

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PDB entries

Showing all 5 items

PDB-3gup:
T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--pyridine binding

PDB-3v36:
Aldose reductase complexed with glceraldehyde

PDB-6jzs:
Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in complex with Pyridine

PDB-8vpi:
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 462

PDB-9hso:
Crystal structure of C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with pyridine

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