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- ChemComp-GWP: 2-cyclopropyl-1~{H}-imidazole-4-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: GWP
NameName: 2-cyclopropyl-1~{H}-imidazole-4-carboxamide

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Chemical information

Composition
Formula: C7H9N3O / Number of atoms: 20 / Formula weight: 151.166 / Formal charge: 0
Others

5qig

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GWP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QIG
History
Create componentJun 1, 2018
Initial releaseJul 18, 2018
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 3.385NC(=O)c1c[nH]c(n1)C2CC2
OpenEye OEToolkits 2.0.6c1c(nc([nH]1)C2CC2)C(=O)N

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SMILES CANONICAL

CACTVS 3.385NC(=O)c1c[nH]c(n1)C2CC2
OpenEye OEToolkits 2.0.6c1c(nc([nH]1)C2CC2)C(=O)N

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InChI

InChI 1.03InChI=1S/C7H9N3O/c8-6(11)5-3-9-7(10-5)4-1-2-4/h3-4H,1-2H2,(H2,8,11)(H,9,10)

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InChIKey

InChI 1.03ZIJDZTAYMWKMQH-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.62-cyclopropyl-1~{H}-imidazole-4-carboxamide

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PDB entries

Showing all 3 items

PDB-5qig:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z1407672867

PDB-5s2w:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1407672867

PDB-7h2d:
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1397964787

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