BioLiP

PDB

BioLiP

PDB CCD ID:

XPV

Number of entries in BioLiP:

Chemical formula:

C16 H12 O3

InChI:

InChI=1S/C16H12O3/c17-16(18)9-13-10-19-15-8-12(6-7-14(13)15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18)

InChIKey:

UIXZLSWUYGJHOL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)Cc1coc2cc(ccc12)c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccc3c(c2)occ3CC(=O)O
ACDLabs 12.01	O=C(O)Cc1coc2cc(ccc12)c3ccccc3

Name:

(6-phenyl-1-benzofuran-3-yl)acetic acid

ChEMBL:

CHEMBL4860222

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).