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- ChemComp-JG4: 2-(thiophen-2-yl)-1H-imidazole -

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Basic information

EntryDatabase: PDB chemical components / ID: JG4
NameName: 2-(thiophen-2-yl)-1H-imidazole

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Chemical information

Composition
Formula: C7H6N2S / Number of atoms: 16 / Formula weight: 150.201 / Formal charge: 0
Others

5qdo

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JG4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QDO
History
Create componentSep 10, 2018
Initial releaseOct 10, 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

ACDLabs 12.01c2cc(c1nccn1)sc2
CACTVS 3.385[nH]1ccnc1c2sccc2
OpenEye OEToolkits 2.0.6c1cc(sc1)c2[nH]ccn2

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SMILES CANONICAL

CACTVS 3.385[nH]1ccnc1c2sccc2
OpenEye OEToolkits 2.0.6c1cc(sc1)c2[nH]ccn2

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InChI

InChI 1.03InChI=1S/C7H6N2S/c1-2-6(10-5-1)7-8-3-4-9-7/h1-5H,(H,8,9)

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InChIKey

InChI 1.03UZLSJAUHCCPJMC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-(thiophen-2-yl)-1H-imidazole
OpenEye OEToolkits 2.0.62-thiophen-2-yl-1~{H}-imidazole

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PDB entries

Showing all 5 items

PDB-5qdo:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOCR000171b

PDB-5qoj:
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOCR000171b

PDB-5rlu:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z744754722

PDB-7fqw:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOCR000171b

PDB-7fro:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z744754722

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