BioLiP

PDB

BioLiP

PDB CCD ID:

M0F

Number of entries in BioLiP:

Chemical formula:

C16 H12 O4

InChI:

InChI=1S/C16H12O4/c17-13-5-6-14-12(9-20-15(14)8-13)7-10-1-3-11(4-2-10)16(18)19/h1-6,8-9,17H,7H2,(H,18,19)

InChIKey:

AVYRIDIODQDKPX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccc(Cc2coc3cc(O)ccc23)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1Cc2coc3c2ccc(c3)O)C(=O)O

Name:

4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid

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).