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BioLiP

PDB CCD ID: 507
Number of entries in BioLiP: 1
Chemical formula: C19 H20 N4 O2
InChI: InChI=1S/C19H20N4O2/c1-13(24)14-3-2-4-15(11-14)17-12-20-19-6-5-18(22-23(17)19)21-16-7-9-25-10-8-16/h2-6,11-12,16H,7-10H2,1H3,(H,21,22)
InChIKey: DTUZIVBPPQTBFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(=O)c1cccc(c1)c2cnc3ccc(NC4CCOCC4)nn23
ACDLabs 12.01O=C(c1cccc(c1)c2cnc3ccc(nn23)NC4CCOCC4)C
OpenEye OEToolkits 1.7.0CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NC4CCOCC4
Name:1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone
ZINC: ZINC000033943544
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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