BioLiP

PDB

BioLiP

PDB CCD ID:

ZOL

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O7 P2

InChI:

InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)

InChIKey:

XRASPMIURGNCCH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O
ACDLabs 10.04	O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O
OpenEye OEToolkits 1.5.0	c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O

Name:

ZOLEDRONIC ACID;
(1-HYDROXY-2-IMIDAZOL-1-YLETHYLIDENE)DIPHOSPHONIC ACID

ChEMBL:

CHEMBL924

DrugBank:

DB00399

ZINC:

ZINC000003803652

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).