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BioLiP

PDB CCD ID: 787
Number of entries in BioLiP: 1
Chemical formula: C7 H10 O6 P2
InChI: InChI=1S/C7H10O6P2/c8-14(9,10)7(15(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13)
InChIKey: FRLTXWJJMCIUNT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(P(=O)(O)O)P(=O)(O)O
CACTVS 3.341O[P](O)(=O)C(c1ccccc1)[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)C(c1ccccc1)P(=O)(O)O
Name:(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID;
RU78783
ChEMBL: CHEMBL148732
DrugBank: DB02908
ZINC: ZINC000002047561
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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