BioLiP

PDB

BioLiP

PDB CCD ID:

A1IBY

Number of entries in BioLiP:

Chemical formula:

C13 H11 Cl N2 O

InChI:

InChI=1S/C13H11ClN2O/c14-11-5-3-4-10(8-11)13(17)16-9-12-6-1-2-7-15-12/h1-8H,9H2,(H,16,17)

InChIKey:

YVYDSKIWKFBNOT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1cccc(c1)C(=O)NCc2ccccn2
OpenEye OEToolkits 2.0.7	c1ccnc(c1)CNC(=O)c2cccc(c2)Cl

Name:

3-chloranyl-~{N}-(pyridin-2-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).