SEQ2FUN

BioLiP

PDB CCD ID: UMH
Number of entries in BioLiP: 1
Chemical formula: C11 H9 N O3
InChI: InChI=1S/C11H9NO3/c1-15-9-2-3-10-7(5-9)4-8(6-12-10)11(13)14/h2-6H,1H3,(H,13,14)
InChIKey: QSFFBQNKTUMKNW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc2ncc(cc2c1)C(O)=O
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)cc(cn2)C(=O)O
Name:6-methoxyquinoline-3-carboxylic acid
ChEMBL: CHEMBL3228131
ZINC: ZINC000032099217
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).