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- ChemComp-4FL: 4-(1H-imidazol-2-yl)pyridine -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: 4FL
NameName: 4-(1H-imidazol-2-yl)pyridine

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Chemical information

Composition
Formula: C8H7N3 / Number of atoms: 18 / Formula weight: 145.161 / Formal charge: 0
Others

4ypz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4FL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4YPZ
History
Create componentMar 16, 2015
Initial releaseMar 16, 2016
External linksUniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / CompTox / 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 12.01c1c(ccnc1)c2nccn2
CACTVS 3.385[nH]1ccnc1c2ccncc2
OpenEye OEToolkits 1.9.2c1cnccc1c2[nH]ccn2

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SMILES CANONICAL

CACTVS 3.385[nH]1ccnc1c2ccncc2
OpenEye OEToolkits 1.9.2c1cnccc1c2[nH]ccn2

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InChI

InChI 1.03InChI=1S/C8H7N3/c1-3-9-4-2-7(1)8-10-5-6-11-8/h1-6H,(H,10,11)

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InChIKey

InChI 1.03QWZSAEUNIBEKIZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-(1H-imidazol-2-yl)pyridine
OpenEye OEToolkits 1.9.24-(1H-imidazol-2-yl)pyridine

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PDB entries

Showing all 3 items

PDB-4ypz:
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds

PDB-5rte:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013283576

PDB-7h9d:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z728187792 (CHIKV_MacB-x1423)

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