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- ChemComp-WQY: 1-(quinolin-3-yl)methanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: WQY
NameName: 1-(quinolin-3-yl)methanamine

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Chemical information

Composition
Formula: C10H10N2 / Number of atoms: 22 / Formula weight: 158.2 / Formal charge: 0
Others

5s1y

Type: non-polymer / PDB classification: HETAIN / Three letter code: WQY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5S1Y
History
Create componentNov 4, 2020
Initial releaseJan 13, 2021
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 12.01n2c1ccccc1cc(CN)c2
CACTVS 3.385NCc1cnc2ccccc2c1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cc(cn2)CN

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SMILES CANONICAL

CACTVS 3.385NCc1cnc2ccccc2c1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cc(cn2)CN

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InChI

InChI 1.03InChI=1S/C10H10N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H,6,11H2

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InChIKey

InChI 1.03VKKZSJQQRIGUIE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-(quinolin-3-yl)methanamine
OpenEye OEToolkits 2.0.7quinolin-3-ylmethanamine

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PDB entries

Showing all 3 items

PDB-5s1y:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with STK346965

PDB-7iaw:
Crystal structure of Zika NS2B-NS3 protease in complex with fragment EOS102818 from ECBL-96

PDB-7iew:
Crystal structure of Endothiapepsin in complex with fragment EOS102818 from ECBL-96

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