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- ChemComp-HRZ: 1~{H}-pyridin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: HRZ
NameName: 1~{H}-pyridin-2-one

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Chemical information

Composition
Formula: C5H5NO / Number of atoms: 12 / Formula weight: 95.099 / Formal charge: 0
Others

6qa4

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HRZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6QA4
History
Create componentDec 18, 2018
Other modificationDec 19, 2018
Initial releaseJun 26, 2019
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385O=C1NC=CC=C1
OpenEye OEToolkits 2.0.6C1=CC(=O)NC=C1

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SMILES CANONICAL

CACTVS 3.385O=C1NC=CC=C1
OpenEye OEToolkits 2.0.6C1=CC(=O)NC=C1

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InChI

InChI 1.03InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)

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InChIKey

InChI 1.03UBQKCCHYAOITMY-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

PDB-5s48:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1741982125

PDB-6qa4:
ERK2 mini-fragment binding

PDB-6tx4:
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PYRIDONE

PDB-7pyb:
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-Hydroxypyridine

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