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BioLiP

PDB CCD ID: 2NX
Number of entries in BioLiP: 1
Chemical formula: C9 H12 N O4 P
InChI: InChI=1S/C9H12NO4P/c1-13-15(12,14-2)10-9(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,11,12)
InChIKey: IJZVLPFIUWFOFA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6COP(=O)(NC(=O)c1ccccc1)OC
ACDLabs 12.01O=C(NP(=O)(OC)OC)c1ccccc1
CACTVS 3.385CO[P](=O)(NC(=O)c1ccccc1)OC
Name:dimethyl benzoylphosphoramidate
ZINC: ZINC000013739037
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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