SEQ2FUN

BioLiP

PDB CCD ID: IZ6
Number of entries in BioLiP: 4
Chemical formula: C19 H16 N4 O
InChI: InChI=1S/C19H16N4O/c24-18-12-14-22(15-7-3-1-4-8-15)21-19(18)17-11-13-20-23(17)16-9-5-2-6-10-16/h1-11,13H,12,14H2
InChIKey: RHGVCYSETKIOMQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)n2c(ccn2)C3=NN(CCC3=O)c4ccccc4
ACDLabs 12.01O=C1CCN(N=C1c1ccnn1c1ccccc1)c1ccccc1
CACTVS 3.385O=C1CCN(N=C1c2ccnn2c3ccccc3)c4ccccc4
Name:1-phenyl-3-(1-phenyl-1H-pyrazol-5-yl)-5,6-dihydropyridazin-4(1H)-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).