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BioLiP Library

PDB CCD ID: 7EA
Number of entries in BioLiP: 2
Chemical formula: C14 H14 N4 O2
InChI: InChI=1S/C14H14N4O2/c1-9-15-16-14-7-5-11(17-18(9)14)10-4-6-12(19-2)13(8-10)20-3/h4-8H,1-3H3
InChIKey: SBNMXRKZAVLTHG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1nnc2n1nc(cc2)c3ccc(c(c3)OC)OC
CACTVS 3.385COc1ccc(cc1OC)c2ccc3nnc(C)n3n2
Name:6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
ChEMBL: CHEMBL4087267
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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