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BioLiP Library

PDB CCD ID: A1H6K
Number of entries in BioLiP: 2
Chemical formula: C14 H10 Cl N3 O2
InChI: InChI=1S/C14H10ClN3O2/c15-10-3-1-9(2-4-10)12-5-6-13-16-11(7-14(19)20)8-18(13)17-12/h1-6,8H,7H2,(H,19,20)
InChIKey: CYEABSUHPBMHRO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)Cc1cn2nc(ccc2n1)c3ccc(Cl)cc3
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ccc3nc(cn3n2)CC(=O)O)Cl
Name:2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]ethanoic acid
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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