SEQ2FUN

BioLiP

PDB CCD ID: CWG
Number of entries in BioLiP: 1
Chemical formula: C13 H13 Cl N2 O
InChI: InChI=1S/C13H13ClN2O/c1-8-9(2)13(17-3)16-15-12(8)10-4-6-11(14)7-5-10/h4-7H,1-3H3
InChIKey: PROOZMFBOUKEMX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1c(c(nnc1c2ccc(cc2)Cl)OC)C
CACTVS 3.385COc1nnc(c(C)c1C)c2ccc(Cl)cc2
ACDLabs 12.01c1(c(C)c(c(OC)nn1)C)c2ccc(cc2)Cl
Name:3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine
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).