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BioLiP

PDB CCD ID: 39L
Number of entries in BioLiP: 1
Chemical formula: C9 H11 F N2 O6 P2
InChI: InChI=1S/C9H11FN2O6P2/c10-9(19(13,14)15,20(16,17)18)5-7-6-11-8-3-1-2-4-12(7)8/h1-4,6H,5H2,(H2,13,14,15)(H2,16,17,18)
InChIKey: MGBVLKIPHVCMLV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)C(F)(Cc1cnc2ccccn12)[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)C(F)(P(=O)(O)O)Cc1cnc2ccccn12
OpenEye OEToolkits 1.7.6c1ccn2c(c1)ncc2CC(F)(P(=O)(O)O)P(=O)(O)O
Name:[1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
ZINC: ZINC000068202652
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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