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BioLiP

PDB CCD ID: YI1
Number of entries in BioLiP: 1
Chemical formula: C14 H15 F2 N O4 P
InChI: InChI=1S/C14H14F2NO4P/c15-14(16,22(18,19)20)13-3-1-2-12(8-13)11-6-4-10(5-7-11)9-21-17/h1-8H,9H2,17H3,(H-,18,19,20)/p+1
InChIKey: FWYIUZIHUWHORI-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2ccc(cc2)CO[NH3+]
CACTVS 3.352[NH3+]OCc1ccc(cc1)c2cccc(c2)C(F)(F)[P](O)(O)=O
Name:[4-[3-(DIFLUORO-PHOSPHONO-METHYL)PHENYL]PHENYL]METHOXYAZANIUM
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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