SEQ2FUN

BioLiP

PDB CCD ID: NTM
Number of entries in BioLiP: 29
Chemical formula: C7 H5 N O4
InChI: InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKey: GJAWHXHKYYXBSV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(nc1)C(=O)O)C(=O)O
CACTVS 3.341OC(=O)c1cccnc1C(O)=O
ACDLabs 10.04O=C(O)c1ncccc1C(=O)O
Name:QUINOLINIC ACID
ChEMBL: CHEMBL286204
DrugBank: DB01796
ZINC: ZINC000000331671
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).