BioLiP

PDB

BioLiP

PDB CCD ID:

93V

Number of entries in BioLiP:

Chemical formula:

C13 H10 O6

InChI:

InChI=1S/C13H10O6/c1-18-8-4-2-7(3-5-8)11-10(13(16)17)9(6-19-11)12(14)15/h2-6H,1H3,(H,14,15)(H,16,17)

InChIKey:

QPGWVRKHYHUXOV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(cc1)c2occ(C(O)=O)c2C(O)=O
ACDLabs 12.01	C(O)(c2c(c1ccc(cc1)OC)occ2C(=O)O)=O
OpenEye OEToolkits 2.0.6	COc1ccc(cc1)c2c(c(co2)C(=O)O)C(=O)O

Name:

2-(4-methoxyphenyl)furan-3,4-dicarboxylic acid

ChEMBL:

CHEMBL1333292

ZINC:

ZINC000002939574

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).