BioLiP

PDB

BioLiP

PDB CCD ID:

V3N

Number of entries in BioLiP:

Chemical formula:

C14 H17 N O3

InChI:

InChI=1S/C14H17NO3/c16-10-12-1-3-13(4-2-12)14(17)15-9-11-5-7-18-8-6-11/h1-4,10-11H,5-9H2,(H,15,17)

InChIKey:

DEZVNKDDRZQHEA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C=O)C(=O)NCC2CCOCC2
CACTVS 3.385	O=Cc1ccc(cc1)C(=O)NCC2CCOCC2

Name:

4-methanoyl-~{N}-(oxan-4-ylmethyl)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).