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BioLiP

PDB CCD ID: QNC
Number of entries in BioLiP: 7
Chemical formula: C10 H7 N O2
InChI: InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)
InChIKey: LOAUVZALPPNFOQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1nc2ccccc2cc1
CACTVS 3.370OC(=O)c1ccc2ccccc2n1
OpenEye OEToolkits 1.7.0c1ccc2c(c1)ccc(n2)C(=O)O
Name:quinoline-2-carboxylic acid
ChEMBL: CHEMBL1160559
DrugBank: DB02428
ZINC: ZINC000000084153
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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