SEQ2FUN

BioLiP

PDB CCD ID: 82I
Number of entries in BioLiP: 4
Chemical formula: C6 H8 Cl N3 O
InChI: InChI=1S/C6H8ClN3O/c1-8-4-3-9-10(2)6(11)5(4)7/h3,8H,1-2H3
InChIKey: ACZYSEPOODWZET-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CNC1=C(C(=O)N(N=C1)C)Cl
CACTVS 3.385CNC1=C(Cl)C(=O)N(C)N=C1
Name:4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one
ChEMBL: CHEMBL4093233
ZINC: ZINC000039116529
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).