BioLiP

PDB

BioLiP

PDB CCD ID:

A1CX9

Number of entries in BioLiP:

Chemical formula:

C17 H16 N4

InChI:

InChI=1S/C17H16N4/c1-21(2)16-12-15(13-8-10-18-11-9-13)17(20-19-16)14-6-4-3-5-7-14/h3-12H,1-2H3

InChIKey:

JZNLARIEJUCAJO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CN(C)c1cc(c(nn1)c2ccccc2)c3ccncc3
CACTVS 3.385	CN(C)c1cc(c2ccncc2)c(nn1)c3ccccc3
ACDLabs 14.52	CN(C)c1cc(c(nn1)c1ccccc1)c1ccncc1

Name:

N,N-dimethyl-6-phenyl-5-(pyridin-4-yl)pyridazin-3-amine

ChEMBL:

CHEMBL4645737

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).