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BioLiP

PDB CCD ID: A1AMZ
Number of entries in BioLiP: 4
Chemical formula: C6 H6 N4 O2 S
InChI: InChI=1S/C6H6N4O2S/c7-13(11,12)6-4-8-5-2-1-3-9-10(5)6/h1-4H,(H2,7,11,12)
InChIKey: BZFKHPWXOXGGCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2ncc(n2nc1)S(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)c1cnc2cccnn12
ACDLabs 12.01NS(=O)(=O)c1cnc2cccnn12
Name:(4R)-imidazo[1,2-b]pyridazine-3-sulfonamide
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).
  • 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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