BioLiP

PDB

BioLiP

PDB CCD ID:

O7R

Number of entries in BioLiP:

Chemical formula:

C10 H10 O2

InChI:

InChI=1S/C10H10O2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-3,6H,4-5H2,1H3

InChIKey:

MMVUJVASBDVNGJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)c1ccc2OCCc2c1
OpenEye OEToolkits 2.0.7	CC(=O)c1ccc2c(c1)CCO2

Name:

1-(2,3-dihydro-1-benzofuran-5-yl)ethanone

ZINC:

ZINC000004027271

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).