BioLiP

PDB

BioLiP

PDB CCD ID:

P8W

Number of entries in BioLiP:

Chemical formula:

C19 H19 N3 O

InChI:

InChI=1S/C19H19N3O/c1-14-18(13-21-22(2)19(14)23)20-12-16-10-6-7-11-17(16)15-8-4-3-5-9-15/h3-11,13,20H,12H2,1-2H3

InChIKey:

JLOICACPNWZYGI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1=C(C=NN(C1=O)C)NCc2ccccc2c3ccccc3
CACTVS 3.385	CN1N=CC(=C(C)C1=O)NCc2ccccc2c3ccccc3

Name:

2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one;
Biphenyl-methylamino-dimethylpyridazinone

ChEMBL:

CHEMBL4633192

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).