SEQ2FUN

BioLiP

PDB CCD ID: Q3C
Number of entries in BioLiP: 3
Chemical formula: C10 H7 N O2
InChI: InChI=1S/C10H7NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,(H,12,13)
InChIKey: DJXNJVFEFSWHLY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1cc2ccccc2nc1
OpenEye OEToolkits 1.7.6c1ccc2c(c1)cc(cn2)C(=O)O
CACTVS 3.370OC(=O)c1cnc2ccccc2c1
Name:quinoline-3-carboxylic acid
ChEMBL: CHEMBL275098
ZINC: ZINC000000265642
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).