BioLiP

PDB

BioLiP

PDB CCD ID:

LM3

Number of entries in BioLiP:

Chemical formula:

C21 H18 N4

InChI:

InChI=1S/C21H18N4/c1-25(2)20-14-19(16-10-12-22-13-11-16)21(24-23-20)18-9-5-7-15-6-3-4-8-17(15)18/h3-14H,1-2H3

InChIKey:

GEAPHVHHVPDTKQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4
CACTVS 3.370	CN(C)c1cc(c2ccncc2)c(nn1)c3cccc4ccccc34
ACDLabs 12.01	n4ccc(c3cc(nnc3c1cccc2c1cccc2)N(C)C)cc4

Name:

N,N-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine

ChEMBL:

CHEMBL4646628

ZINC:

ZINC000095921388

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).