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BioLiP Library

PDB CCD ID: 428
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N3 O
InChI: InChI=1S/C9H11N3O/c1-6(2)7-5-12-8(10-7)3-4-9(13)11-12/h3-6H,1-2H3,(H,11,13)
InChIKey: QAOPIBXTQUXLFU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CC(C)c1cn2nc(O)ccc2n1
OpenEye OEToolkits 1.7.0CC(C)c1cn2c(n1)ccc(n2)O
Name:2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol
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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