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- ChemComp-HVQ: thiophen-3-ylmethylazanium -

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Basic information

EntryDatabase: PDB chemical components / ID: HVQ
NameName: thiophen-3-ylmethylazanium

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Chemical information

Composition
Formula: C5H8NS / Number of atoms: 15 / Formula weight: 114.189 / Formal charge: 1
Others

6qaq

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HVQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6QAQ
History
Create componentDec 20, 2018
Initial releaseMar 27, 2019
External linksUniChem / ChemSpider / PubChem / 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 3.385[NH3+]Cc1cscc1
OpenEye OEToolkits 2.0.6c1cscc1C[NH3+]

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SMILES CANONICAL

CACTVS 3.385[NH3+]Cc1cscc1
OpenEye OEToolkits 2.0.6c1cscc1C[NH3+]

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InChI

InChI 1.03InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2/p+1

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InChIKey

InChI 1.03DUDAKCCDHRNMDJ-UHFFFAOYSA-O

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PDB entries

Showing all 1 items

PDB-6qaq:
ERK2 mini-fragment binding

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