BioLiP

PDB

BioLiP

PDB CCD ID:

O0X

Number of entries in BioLiP:

Chemical formula:

C16 H12 Cl N3 O

InChI:

InChI=1S/C16H12ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-15-10-18-9-14-13(15)5-2-6-19-14/h1-7,9-10H,8H2,(H,20,21)

InChIKey:

ACBAQCKSRSEYGV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1cccc(c1)CC(=O)Nc1cncc2ncccc21
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccn3
CACTVS 3.385	Clc1cccc(CC(=O)Nc2cncc3ncccc23)c1

Name:

2-(3-chlorophenyl)-N-(1,7-naphthyridin-5-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).