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BioLiP

PDB CCD ID: AHD
Number of entries in BioLiP: 26
Chemical formula: C4 H9 N O7 P2
InChI: InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/p-4
InChIKey: OGSPWJRAVKPPFI-UHFFFAOYSA-J
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN
CACTVS 3.370NCCCC(O)([P]([O-])([O-])=O)[P]([O-])([O-])=O
ACDLabs 12.01[O-]P([O-])(=O)C(O)(CCCN)P(=O)([O-])[O-]
Name:4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE;
ALENDRONATE;
FOSAMAX (TM)
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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