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- ChemComp-GVH: 1H-PYRROLO[2,3-B]PYRIDINE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: GVH
NameName: 1H-pyrrolo[2,3-B]pyridine

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Chemical information

Composition
Formula: C7H6N2 / Number of atoms: 15 / Formula weight: 118.136 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: GVH / Ideal coordinates details: OpenEye OEToolkits
History
Create componentMar 15, 2007
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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

ACDLabs 10.04n1cccc2c1ncc2
CACTVS 3.341[nH]1ccc2cccnc12
OpenEye OEToolkits 1.5.0c1cc2cc[nH]c2nc1

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SMILES CANONICAL

CACTVS 3.341[nH]1ccc2cccnc12
OpenEye OEToolkits 1.5.0c1cc2cc[nH]c2nc1

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InChI

InChI 1.03InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)

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InChIKey

InChI 1.03MVXVYAKCVDQRLW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041H-pyrrolo[2,3-b]pyridine
OpenEye OEToolkits 1.5.01H-pyrrolo[2,3-b]pyridine

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PDB entries

Showing all 3 items

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Structure of PKA-PKB chimera complexed with 7-azaindole

PDB-5rt7:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000015442276

PDB-7h98:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z271099378 (CHIKV_MacB-x1402)

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