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BioLiP

PDB CCD ID: EOZ
Number of entries in BioLiP: 2
Chemical formula: C11 H14 N2 O10 P2
InChI: InChI=1S/C11H14N2O10P2/c14-9(4-24(18,19)20)12-7-1-6(11(16)17)2-8(3-7)13-10(15)5-25(21,22)23/h1-3H,4-5H2,(H,12,14)(H,13,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)
InChIKey: LGLZCZRWQTWLGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1cc(NC(=O)C[P](O)(O)=O)cc(NC(=O)C[P](O)(O)=O)c1
OpenEye OEToolkits 1.5.0c1c(cc(cc1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O
ACDLabs 10.04O=C(Nc1cc(cc(c1)NC(=O)CP(=O)(O)O)C(=O)O)CP(=O)(O)O
Name:3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID
ZINC: ZINC000024799743
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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