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BioLiP

PDB CCD ID: 1CT
Number of entries in BioLiP: 1
Chemical formula: C15 H13 F3 N O5 P
InChI: InChI=1S/C15H13F3NO5P/c16-15(17,18)10-5-1-2-6-11(10)19-14(20)9-24-12-7-3-4-8-13(12)25(21,22)23/h1-8H,9H2,(H,19,20)(H2,21,22,23)
InChIKey: GAFDGQORYPFURN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccccc2P(=O)(O)O
CACTVS 3.370O[P](O)(=O)c1ccccc1OCC(=O)Nc2ccccc2C(F)(F)F
ACDLabs 12.01FC(F)(F)c1ccccc1NC(=O)COc2ccccc2P(=O)(O)O
Name:[2-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid
ZINC: ZINC000009184369
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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