BioLiP

PDB

BioLiP

PDB CCD ID:

A1IVU

Number of entries in BioLiP:

Chemical formula:

C11 H8 Cl2 N2

InChI:

InChI=1S/C11H8Cl2N2/c12-10-2-1-9(7-11(10)13)15-8-3-5-14-6-4-8/h1-7H,(H,14,15)

InChIKey:

PIOXIDGULSGPDO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc(Nc2ccncc2)cc1Cl
OpenEye OEToolkits 2.0.7	c1cc(c(cc1Nc2ccncc2)Cl)Cl

Name:

~{N}-(3,4-dichlorophenyl)pyridin-4-amine

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).