BioLiP

PDB

BioLiP

PDB CCD ID:

VCY

Number of entries in BioLiP:

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:

Software	SMILES
ACDLabs 12.01	c4(cc(c3c(c2c(cc(c1cccc(c1)OC)cc2)o3)CC(O)=O)ccc4)OC
OpenEye OEToolkits 2.0.7	COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)OC
CACTVS 3.385	COc1cccc(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, 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).