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BioLiP

PDB CCD ID: AY8
Number of entries in BioLiP: 1
Chemical formula: C19 H21 F2 O4 P
InChI: InChI=1S/C19H21F2O4P/c20-19(21,26(23,24)25)15-9-4-8-14(12-15)17-11-5-10-16(18(17)22)13-6-2-1-3-7-13/h4-5,8-13,22H,1-3,6-7H2,(H2,23,24,25)
InChIKey: JUSLBFDSFUTQKT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1c(cccc1c2cccc(c2)C(F)(F)[P](O)(O)=O)C3CCCCC3
OpenEye OEToolkits 2.0.6c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2cccc(c2O)C3CCCCC3
Name:[[3-(3-cyclohexyl-2-oxidanyl-phenyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid
ChEMBL: CHEMBL2431708
ZINC: ZINC000096284979
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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