BioLiP

PDB

BioLiP

PDB CCD ID:

MQB

Number of entries in BioLiP:

Chemical formula:

C10 H8 O3

InChI:

InChI=1S/C10H8O3/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)

InChIKey:

QWMVFCMIUUHJDH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)Cc1coc2ccccc12
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(co2)CC(=O)O

Name:

2-(1-benzofuran-3-yl)ethanoic acid

ZINC:

ZINC000002599099

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).