SEQ2FUN

BioLiP

PDB CCD ID: W3G
Number of entries in BioLiP: 27
Chemical formula: C4 H4 N2 O
InChI: InChI=1S/C4H4N2O/c7-4-2-1-3-5-6-4/h1-3H,(H,6,7)
InChIKey: AAILEWXSEQLMNI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=CC(=O)NN=C1
CACTVS 3.385O=C1NN=CC=C1
ACDLabs 12.01N1N=CC=CC1=O
Name:pyridazin-3(2H)-one
ChEMBL: CHEMBL3228881
ZINC: ZINC000008672864
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).