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- ChemComp-PZA: PYRAZINE-2-CARBOXAMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: PZA
NameName: pyrazine-2-carboxamide / Synonyms: Pyrazinamide

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Chemical information

Composition
Formula: C5H5N3O / Number of atoms: 14 / Formula weight: 123.113 / Formal charge: 0
Others

1x8a

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PZA / Model coordinates PDB-ID: 1X8A
History
Create componentSep 6, 2004
Modify descriptorJun 4, 2011
Modify synonymsMar 28, 2016
Modify synonymsMar 1, 2021
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

ACDLabs 10.04O=C(N)c1nccnc1
CACTVS 3.341NC(=O)c1cnccn1
OpenEye OEToolkits 1.5.0c1cnc(cn1)C(=O)N

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SMILES CANONICAL

CACTVS 3.341NC(=O)c1cnccn1
OpenEye OEToolkits 1.5.0c1cnc(cn1)C(=O)N

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InChI

InChI 1.03InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)

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InChIKey

InChI 1.03IPEHBUMCGVEMRF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04pyrazine-2-carboxamide
OpenEye OEToolkits 1.5.0pyrazine-2-carboxamide

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PDB entries

Showing all 6 items

PDB-3r4x:
Crystal structure of bovine lactoperoxidase complexed with pyrazine-2-carboxamide at 2 A resolution

PDB-3r55:
Crystal structure of the complex of goat lactoperoxidase with Pyrazinamide at 2.1 A resolution

PDB-5fpd:
Structure of heat shock-related 70kDA protein 2 with small-molecule ligand pyrazine-2-carboxamide (AT513) in an alternate binding site.

PDB-5rtm:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002005

PDB-7h8m:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z33546644 (CHIKV_MacB-x1258)

PDB-8h0o:
Crystal structure of human serum albumin and ruthenium PZA complex adduct

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