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BioLiP

PDB CCD ID: 8EU
Number of entries in BioLiP: 2
Chemical formula: C9 H12 N O5 P
InChI: InChI=1S/C9H12NO5P/c1-2-16(13,14)15-7-8-3-5-9(6-4-8)10(11)12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKey: JKNVUUFWZPUKAB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC[P](O)(=O)OCc1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 2.0.6CCP(=O)(O)OCc1ccc(cc1)[N+](=O)[O-]
Name:ethyl-[(4-nitrophenyl)methoxy]phosphinic acid
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)(download the PDF file).
  • 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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