BioLiP

PDB

BioLiP

PDB CCD ID:

OVG

Number of entries in BioLiP:

Chemical formula:

C14 H16 O4

InChI:

InChI=1S/C14H16O4/c1-2-3-6-17-11-4-5-12-10(7-14(15)16)9-18-13(12)8-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,16)

InChIKey:

SZOTYOZQWWESFH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCOc1ccc2c(CC(O)=O)coc2c1
ACDLabs 12.01	C(=O)(O)Cc2coc1c2ccc(c1)OCCCC
OpenEye OEToolkits 2.0.7	CCCCOc1ccc2c(c1)occ2CC(=O)O

Name:

(6-butoxy-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).