BioLiP

PDB

BioLiP

PDB CCD ID:

AHD

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.7.2	C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN
CACTVS 3.370	NCCCC(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, Lydia 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).