BioLiP

PDB

BioLiP

PDB CCD ID:

OVS

Number of entries in BioLiP:

Chemical formula:

C16 H12 O4

InChI:

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

InChIKey:

SLCAFBFROXEZHX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O(c1ccccc1)c2cc3c(cc2)c(CC(O)=O)co3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Oc2ccc3c(c2)occ3CC(=O)O
CACTVS 3.385	OC(=O)Cc1coc2cc(Oc3ccccc3)ccc12

Name:

(6-phenoxy-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).