BioLiP

PDB

BioLiP

PDB CCD ID:

UW6

Number of entries in BioLiP:

Chemical formula:

C5 H6 N2 O

InChI:

InChI=1S/C5H6N2O/c1-4-2-5(8)7-6-3-4/h2-3H,1H3,(H,7,8)

InChIKey:

MMDFKVYPOQFQHP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1=CC(=O)NN=C1
ACDLabs 12.01	O=C1C=C(C)C=NN1

Name:

5-methylpyridazin-3(2H)-one

ZINC:

ZINC000017108644

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).