SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C3 H11 N O7 P2

InChI:

InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)

InChIKey:

WRUUGTRCQOWXEG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NCCC(O)([P](O)(O)=O)[P](O)(O)=O
ACDLabs 10.04	O=P(O)(O)C(O)(CCN)P(=O)(O)O
OpenEye OEToolkits 1.5.0	C(CN)C(O)(P(=O)(O)O)P(=O)(O)O

Name:

PAMIDRONATE;
(3-AMINO-1-HYDROXY-1-PHOSPHONO-PROPYL)PHOSPHONIC ACID

ChEMBL:

DrugBank:

ZINC:

ZINC000003812862

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).