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BioLiP

PDB CCD ID: KYA
Number of entries in BioLiP: 7
Chemical formula: C10 H7 N O3
InChI: InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
InChIKey: HCZHHEIFKROPDY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)c1cc(O)c2ccccc2n1
ACDLabs 12.01O=C(O)c1nc2ccccc2c(O)c1
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(cc(n2)C(=O)O)O
Name:4-hydroxyquinoline-2-carboxylic acid;
Kynurenic acid
ChEMBL: CHEMBL299155
DrugBank: DB11937
ZINC: ZINC000008584773
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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