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BioLiP

PDB CCD ID: 5ZG
Number of entries in BioLiP: 1
Chemical formula: C10 H15 O3 P
InChI: InChI=1S/C10H15O3P/c1-3-13-14(11,12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,11,12)
InChIKey: UGYWRBROZXWBSU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOP(=O)(Cc1ccc(cc1)C)O
CACTVS 3.385CCO[P](O)(=O)Cc1ccc(C)cc1
Name:ethyl-4-methylbenzylphosphonate
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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