BioLiP

PDB

BioLiP

PDB CCD ID:

P8Z

Number of entries in BioLiP:

Chemical formula:

C18 H25 N5 O

InChI:

InChI=1S/C18H25N5O/c1-14-16(13-20-22(3)18(14)24)19-12-15-6-4-5-7-17(15)23-10-8-21(2)9-11-23/h4-7,13,19H,8-12H2,1-3H3

InChIKey:

HONYBLSJNSYWKQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C
CACTVS 3.385	CN1CCN(CC1)c2ccccc2CNC3=C(C)C(=O)N(C)N=C3

Name:

2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one;
dimethyl-methylpiperazinyl-benzyl-aminopyridazinone

ChEMBL:

CHEMBL4648548

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).