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BioLiP Library

PDB CCD ID: 911
Number of entries in BioLiP: 1
Chemical formula: C2 H8 O7 P2
InChI: InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
InChIKey: DBVJJBKOTRCVKF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(O)([P](O)(O)=O)[P](O)(O)=O
OpenEye OEToolkits 1.7.2CC(O)(P(=O)(O)O)P(=O)(O)O
ACDLabs 12.01O=P(O)(O)C(O)(C)P(=O)(O)O
Name:(1-hydroxyethane-1,1-diyl)bis(phosphonic acid);
Etidronic acid
ChEMBL: CHEMBL871
DrugBank: DB01077
ZINC: ZINC000003830813
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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