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- ChemComp-HGQ: 4-bromanyl-1~{H}-pyridin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: HGQ
NameName: 4-bromanyl-1~{H}-pyridin-2-one

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Chemical information

Composition
Formula: C5H4BrNO / Number of atoms: 12 / Formula weight: 173.995 / Formal charge: 0
Others

6q49

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HGQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Q49
History
Create componentDec 6, 2018
Initial releaseMar 20, 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 3.385BrC1=CC(=O)NC=C1
OpenEye OEToolkits 2.0.6C1=CNC(=O)C=C1Br

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SMILES CANONICAL

CACTVS 3.385BrC1=CC(=O)NC=C1
OpenEye OEToolkits 2.0.6C1=CNC(=O)C=C1Br

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InChI

InChI 1.03InChI=1S/C5H4BrNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)

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InChIKey

InChI 1.03SSLMGOKTIUIZLY-UHFFFAOYSA-N

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PDB entries

Showing all 6 items

PDB-5s41:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00023825

PDB-6q49:
CDK2 in complex with FragLite6

PDB-7h7w:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with NCL-00023825 (CHIKV_MacB-x1076)

PDB-7qwo:
ATAD2 in complex with FragLite6

PDB-7za8:
BRD4 in complex with FragLite6

PDB-9et7:
CDK2-cyclin A in complex with FragLite 6

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