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- ChemComp-2AQ: QUINOLIN-2-AMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: 2AQ
NameName: quinolin-2-amine / Synonyms: 2-AMINOQUINOLINE

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Chemical information

Composition
Formula: C9H8N2 / Number of atoms: 19 / Formula weight: 144.173 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2AQ / Ideal coordinates details: OpenEye/OEToolkits V1.4.2
History
Create componentJan 12, 2007
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / NMRShiftDB / 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 10.04n1c(ccc2ccccc12)N
CACTVS 3.341Nc1ccc2ccccc2n1
OpenEye OEToolkits 1.5.0c1ccc2c(c1)ccc(n2)N

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SMILES CANONICAL

CACTVS 3.341Nc1ccc2ccccc2n1
OpenEye OEToolkits 1.5.0c1ccc2c(c1)ccc(n2)N

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InChI

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

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InChIKey

InChI 1.03GCMNJUJAKQGROZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04quinolin-2-amine
OpenEye OEToolkits 1.5.0quinolin-2-amine

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PDB entries

Showing all 5 items

PDB-2ohl:
X-ray crystal structure of beta secretase complexed with 2-aminoquinoline

PDB-5g65:
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with quinolin-2-amine

PDB-7h91:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56347237 (CHIKV_MacB-x1338)

PDB-7oru:
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221

PDB-7wpm:
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP

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