BioLiP

PDB

BioLiP

PDB CCD ID:

OZM

Number of entries in BioLiP:

Chemical formula:

C17 H14 O3

InChI:

InChI=1S/C17H14O3/c18-17(19)10-14-11-20-16-9-13(6-7-15(14)16)8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,18,19)

InChIKey:

NANLKTVMZIVCBJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Cc2ccc3c(c2)occ3CC(=O)O
CACTVS 3.385	OC(=O)Cc1coc2cc(Cc3ccccc3)ccc12
ACDLabs 12.01	C(c1ccc2c(CC(O)=O)coc2c1)c3ccccc3

Name:

(6-benzyl-1-benzofuran-3-yl)acetic 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).