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BioLiP

PDB CCD ID: GNV
Number of entries in BioLiP: 2
Chemical formula: C11 H7 N O5
InChI: InChI=1S/C11H7NO5/c13-9-5-2-1-3-6(10(14)15)8(5)12-4-7(9)11(16)17/h1-4H,(H,12,13)(H,14,15)(H,16,17)
InChIKey: YYLVBIBWUBXXRA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(c(c1)C(=O)O)ncc(c2O)C(=O)O
CACTVS 3.385OC(=O)c1cccc2c(O)c(cnc12)C(O)=O
ACDLabs 12.01c2cc(c1c(c(c(C(O)=O)cn1)O)c2)C(O)=O
Name:4-hydroxyquinoline-3,8-dicarboxylic acid
ChEMBL: CHEMBL386243
ZINC: ZINC000000117354
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)(download the PDF file).
  • 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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