SEQ2FUN

BioLiP

PDB CCD ID: TXR
Number of entries in BioLiP: 2
Chemical formula: C12 H8 O5
InChI: InChI=1S/C12H8O5/c13-11(14)8-3-1-2-7(6-8)9-4-5-10(17-9)12(15)16/h1-6H,(H,13,14)(H,15,16)
InChIKey: IBQCYMBXLOYXCL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)C(=O)O)c2ccc(o2)C(=O)O
CACTVS 3.385OC(=O)c1oc(cc1)c2cccc(c2)C(O)=O
Name:5-(3-carboxyphenyl)furan-2-carboxylic acid
ChEMBL: CHEMBL4646686
ZINC: ZINC000016398734
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).