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BioLiP

PDB CCD ID: 4NO
Number of entries in BioLiP: 4
Chemical formula: C7 H6 N O7 P
InChI: InChI=1S/C7H6NO7P/c9-7(10)5-2-1-4(8(11)12)3-6(5)16(13,14)15/h1-3H,(H,9,10)(H2,13,14,15)
InChIKey: PFWUFGANONPVGT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc(cc1[P](O)(O)=O)[N+]([O-])=O
OpenEye OEToolkits 1.7.6c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O
ACDLabs 12.01[O-][N+](=O)c1cc(c(C(=O)O)cc1)P(=O)(O)O
Name:4-nitro-2-phosphonobenzoic acid
ZINC: ZINC000001870296
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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