SEQ2FUN

BioLiP

PDB CCD ID: FEP
Number of entries in BioLiP: 1
Chemical formula: C18 H20 F4 O6 P2
InChI: InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)
InChIKey: SRHSAABKYJDBDV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04FC(F)(c1ccc(cc1)CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)P(=O)(O)O
CACTVS 3.341O[P](O)(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)[P](O)(O)=O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O
Name:[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-BUTYL}-PHENYL)-DIFLUORO-METHYL]-PHOSPHONIC ACID
ChEMBL: CHEMBL1161222
DrugBank: DB04204
ZINC: ZINC000002043451
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).