BioLiP

PDB

BioLiP

PDB CCD ID:

7IV

Number of entries in BioLiP:

Chemical formula:

C15 H14 Cl N O2

InChI:

InChI=1S/C15H14ClNO2/c16-13-6-8-14(9-7-13)17-15(18)11-19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)

InChIKey:

CELZHXIAORJPBI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)COCC(=O)Nc2ccc(cc2)Cl
CACTVS 3.385	Clc1ccc(NC(=O)COCc2ccccc2)cc1

Name:

~{N}-(4-chlorophenyl)-2-phenylmethoxy-ethanamide

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).