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- ChemComp-4FS: quinolin-3-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: 4FS
NameName: quinolin-3-amine

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Chemical information

Composition
Formula: C9H8N2 / Number of atoms: 19 / Formula weight: 144.173 / Formal charge: 0
Others

4ypf

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4FS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4YPF
History
Create componentMar 17, 2015
Initial releaseAug 12, 2015
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 12.01c2c(N)cc1ccccc1n2
CACTVS 3.385Nc1cnc2ccccc2c1
OpenEye OEToolkits 1.9.2c1ccc2c(c1)cc(cn2)N

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SMILES CANONICAL

CACTVS 3.385Nc1cnc2ccccc2c1
OpenEye OEToolkits 1.9.2c1ccc2c(c1)cc(cn2)N

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InChI

InChI 1.03InChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2

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InChIKey

InChI 1.03SVNCRRZKBNSMIV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01quinolin-3-amine
OpenEye OEToolkits 1.9.2quinolin-3-amine

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PDB entries

Showing all 4 items

PDB-4ypf:
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with quinolin-3-amine (Chem 84)

PDB-5rv4:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039224

PDB-7h9e:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z234895085 (CHIKV_MacB-x1431)

PDB-7hrp:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z234895085

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