SEQ2FUN

BioLiP

PDB CCD ID: EHE
Number of entries in BioLiP: 1
Chemical formula: C16 H19 N3 O
InChI: InChI=1S/C16H19N3O/c1-12-11-15(20)19(14-7-9-17-10-8-14)18-16(12)13-5-3-2-4-6-13/h2-6,11,14,17H,7-10H2,1H3
InChIKey: TWZULJZXADJJPI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC1=CC(=O)N(N=C1c2ccccc2)C3CCNCC3
Name:5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one
ChEMBL: CHEMBL5270364
ZINC: ZINC000072397705
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).