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- ChemComp-GWG: 1-methylindazole-3-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: GWG
NameName: 1-methylindazole-3-carboxamide

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Chemical information

Composition
Formula: C9H9N3O / Number of atoms: 22 / Formula weight: 175.187 / Formal charge: 0
Others

5qih

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GWG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QIH
History
Create componentJun 1, 2018
Initial releaseJul 18, 2018
External linksUniChem / ChemSpider / ChEMBL / PubChem / 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

CACTVS 3.385Cn1nc(C(N)=O)c2ccccc12
OpenEye OEToolkits 2.0.6Cn1c2ccccc2c(n1)C(=O)N

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SMILES CANONICAL

CACTVS 3.385Cn1nc(C(N)=O)c2ccccc12
OpenEye OEToolkits 2.0.6Cn1c2ccccc2c(n1)C(=O)N

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InChI

InChI 1.03InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-12)9(10)13/h2-5H,1H3,(H2,10,13)

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InChIKey

InChI 1.03PVROETJHCUDAFG-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.61-methylindazole-3-carboxamide

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PDB entries

Showing all 3 items

PDB-5qih:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z2697514548

PDB-5sa9:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z2697514548

PDB-7h4f:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1618027593 (A71EV2A-x0812)

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