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BioLiP

PDB CCD ID: VE7
Number of entries in BioLiP: 2
Chemical formula: C24 H20 O5
InChI: InChI=1S/C24H20O5/c1-27-18-9-6-15(7-10-18)24-21(14-23(25)26)20-11-8-17(13-22(20)29-24)16-4-3-5-19(12-16)28-2/h3-13H,14H2,1-2H3,(H,25,26)
InChIKey: TZSONHMMMFCHKL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(cc1)c2oc3cc(ccc3c2CC(O)=O)c4cccc(OC)c4
ACDLabs 12.01c4c(c3c(c2c(cc(c1cc(ccc1)OC)cc2)o3)CC(O)=O)ccc(c4)OC
OpenEye OEToolkits 2.0.7COc1ccc(cc1)c2c(c3ccc(cc3o2)c4cccc(c4)OC)CC(=O)O
Name:[6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
ChEMBL: CHEMBL4871128
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).
  • 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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