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BioLiP Library

PDB CCD ID: 93V
Number of entries in BioLiP: 4
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:
SoftwareSMILES
CACTVS 3.385COc1ccc(cc1)c2occ(C(O)=O)c2C(O)=O
ACDLabs 12.01C(O)(c2c(c1ccc(cc1)OC)occ2C(=O)O)=O
OpenEye OEToolkits 2.0.6COc1ccc(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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