SEQ2FUN

BioLiP

PDB CCD ID: YBV
Number of entries in BioLiP: 2
Chemical formula: C8 H11 Cl N4 O
InChI: InChI=1S/C8H11ClN4O/c1-13-8(14)7(9)6(4-11-13)12-5-2-10-3-5/h4-5,10,12H,2-3H2,1H3
InChIKey: GZHCENKGUMJQPY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1C(=O)C(=C(C=N1)NC2CNC2)Cl
CACTVS 3.385CN1N=CC(=C(Cl)C1=O)NC2CNC2
Name:5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one
ChEMBL: CHEMBL4853420
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).