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BioLiP

PDB CCD ID: VCY
Number of entries in BioLiP: 1
Chemical formula: C24 H20 O5
InChI: InChI=1S/C24H20O5/c1-27-18-7-3-5-15(11-18)16-9-10-20-21(14-23(25)26)24(29-22(20)13-16)17-6-4-8-19(12-17)28-2/h3-13H,14H2,1-2H3,(H,25,26)
InChIKey: DPEJTEZYXSGVKK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c4(cc(c3c(c2c(cc(c1cccc(c1)OC)cc2)o3)CC(O)=O)ccc4)OC
OpenEye OEToolkits 2.0.7COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)OC
CACTVS 3.385COc1cccc(c1)c2ccc3c(CC(O)=O)c(oc3c2)c4cccc(OC)c4
Name:[2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
ChEMBL: CHEMBL4848780
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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