BioLiP

PDB

BioLiP

PDB CCD ID:

Y0L

Number of entries in BioLiP:

Chemical formula:

C16 H15 N O2

InChI:

InChI=1S/C16H15NO2/c18-16(13-4-2-1-3-5-13)17-11-12-6-7-15-14(10-12)8-9-19-15/h1-7,10H,8-9,11H2,(H,17,18)

InChIKey:

TVSXIFYVOOOJAV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)NCc2ccc3c(c2)CCO3
ACDLabs 12.01	O=C(NCc1cc2CCOc2cc1)c1ccccc1
CACTVS 3.385	O=C(NCc1ccc2OCCc2c1)c3ccccc3

Name:

N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide

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).