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BioLiP

PDB CCD ID: ID9
Number of entries in BioLiP: 4
Chemical formula: C19 H19 N5 O
InChI: InChI=1S/C19H19N5O/c1-13-14(2)24-17(20-13)9-10-19(22-24)25-12-18-21-16(11-23(18)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKey: QXYBYVXOVCAYLM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc(nc1COc2ccc3nc(C)c(C)n3n2)c4ccccc4
OpenEye OEToolkits 2.0.7Cc1c(n2c(n1)ccc(n2)OCc3nc(cn3C)c4ccccc4)C
ACDLabs 12.01Cn1cc(nc1COc1ccc2nc(C)c(C)n2n1)c1ccccc1
Name:(4R)-2,3-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
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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