SEQ2FUN

BioLiP

PDB CCD ID: PNP
Number of entries in BioLiP: 8
Chemical formula: C7 H8 N O5 P
InChI: InChI=1S/C7H8NO5P/c1-14(11,12)13-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,11,12)
InChIKey: VJPXTXIEAOSJBR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-]
ACDLabs 10.04O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)C
OpenEye OEToolkits 1.5.0C[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]
CACTVS 3.341C[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
CACTVS 3.341C[P@](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Name:METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER;
4-NITROPHENYL HYDROGEN METHYLPHOSPHONATE
DrugBank: DB08413
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).