BioLiP

PDB

BioLiP

PDB CCD ID:

0X2

Number of entries in BioLiP:

Chemical formula:

C12 H8 Cl2 N2 O2

InChI:

InChI=1S/C12H8Cl2N2O2/c13-8-2-1-3-9(14)11(8)12(18)16-7-4-5-15-10(17)6-7/h1-3,5-6H,4H2,(H,16,18)

InChIKey:

HKIJJBMBTHKEPC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl
CACTVS 3.370	Clc1cccc(Cl)c1C(=O)NC2=CC(=O)N=CC2
ACDLabs 12.01	O=C2N=CCC(NC(=O)c1c(Cl)cccc1Cl)=C2

Name:

2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide

ZINC:

ZINC000095920666

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).