SEQ2FUN

BioLiP

PDB CCD ID: 4KL
Number of entries in BioLiP: 4
Chemical formula: C10 H7 N O4
InChI: InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
InChIKey: FBZONXHGGPHHIY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc2c(cc(nc2c(c1)O)C(=O)O)O
CACTVS 3.385OC(=O)c1cc(O)c2cccc(O)c2n1
ACDLabs 12.01Oc1cc(C(O)=O)nc2c1cccc2O
Name:Xanthuric acid;
Xanthurenate;
8-Hydroxykynurenic acid;
4,8-Dihydroxyquinaldic acid
ChEMBL: CHEMBL312535
ZINC: ZINC000008738372
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).