BioLiP

PDB

BioLiP

PDB CCD ID:

QJR

Number of entries in BioLiP:

Chemical formula:

C16 H11 Cl2 N3 O

InChI:

InChI=1S/C16H11Cl2N3O/c17-13-2-1-10(5-14(13)18)6-16(22)21-15-9-20-8-11-7-19-4-3-12(11)15/h1-5,7-9H,6H2,(H,21,22)

InChIKey:

IOZNTHKFTJIBSE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1CC(=O)Nc2cncc3c2ccnc3)Cl)Cl
CACTVS 3.385	Clc1ccc(CC(=O)Nc2cncc3cnccc23)cc1Cl
ACDLabs 12.01	Clc1ccc(cc1Cl)CC(=O)Nc1cncc2cnccc21

Name:

2-(3,4-dichlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide

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).