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- ChemComp-QNC: quinoline-2-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: QNC
NameName: quinoline-2-carboxylic acid

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Chemical information

Composition
Formula: C10H7NO2 / Number of atoms: 20 / Formula weight: 173.168 / Formal charge: 0
Others

1jld

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: QNC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1JLD
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
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 12.01O=C(O)c1nc2ccccc2cc1
CACTVS 3.370OC(=O)c1ccc2ccccc2n1
OpenEye OEToolkits 1.7.0c1ccc2c(c1)ccc(n2)C(=O)O

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SMILES CANONICAL

CACTVS 3.370OC(=O)c1ccc2ccccc2n1
OpenEye OEToolkits 1.7.0c1ccc2c(c1)ccc(n2)C(=O)O

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InChI

InChI 1.03InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)

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InChIKey

InChI 1.03LOAUVZALPPNFOQ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01quinoline-2-carboxylic acid
OpenEye OEToolkits 1.7.0quinoline-2-carboxylic acid

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PDB entries

Showing all 5 items

PDB-2fgu:
X-ray crystal structure of HIV-1 Protease T80S variant in complex with the inhibitor saquinavir used to explore the role of invariant Thr80 in HIV-1 protease structure, function, and viral infectivity.

PDB-2fgv:
X-ray crystal structure of HIV-1 Protease T80N variant in complex with the inhibitor saquinavir used to explore the role of invariant Thr80 in HIV-1 protease structure, function, and viral infectivity.

PDB-4jku:
Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with quinaldic acid, NYSGRC Target 14306

PDB-7x6j:
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3af

PDB-9dl3:
Structure of proline utilization A complexed with quinoline-2-carboxylic acid

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