BioLiP

PDB

BioLiP

PDB CCD ID:

EHK

Number of entries in BioLiP:

Chemical formula:

C15 H18 N4 O

InChI:

InChI=1S/C15H18N4O/c1-11-10-14(20)19(13-4-8-17-9-5-13)18-15(11)12-2-6-16-7-3-12/h2-3,6-7,10,13,17H,4-5,8-9H2,1H3

InChIKey:

DDBCCLBDEPERNR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC1=CC(=O)N(N=C1c2ccncc2)C3CCNCC3

Name:

5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one

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).