SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.370	CC(O)([P](O)(O)=O)[P](O)(O)=O
OpenEye OEToolkits 1.7.2	CC(O)(P(=O)(O)O)P(=O)(O)O
ACDLabs 12.01	O=P(O)(O)C(O)(C)P(=O)(O)O

Name:

(1-hydroxyethane-1,1-diyl)bis(phosphonic acid);
Etidronic acid

ChEMBL:

DrugBank:

ZINC:

ZINC000003830813

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).