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BioLiP Library

PDB CCD ID: VII
Number of entries in BioLiP: 2
Chemical formula: C18 H12 O5
InChI: InChI=1S/C18H12O5/c19-17(20)13-14(18(21)22)16(12-9-5-2-6-10-12)23-15(13)11-7-3-1-4-8-11/h1-10H,(H,19,20)(H,21,22)
InChIKey: QPKYPOMZPFDBEZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)c2c(oc(c1ccccc1)c2C(=O)O)c3ccccc3
CACTVS 3.341OC(=O)c1c(oc(c2ccccc2)c1C(O)=O)c3ccccc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2c(c(c(o2)c3ccccc3)C(=O)O)C(=O)O
Name:2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID;
2-5-DIPHENYL-3,4-FURANDICARBOXYLIC ACID
DrugBank: DB08702
ZINC: ZINC000000345566
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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