BioLiP

PDB

BioLiP

PDB CCD ID:

PPK

Number of entries in BioLiP:

Chemical formula:

H6 N O9 P3

InChI:

InChI=1S/H6NO9P3/c2-11(3,4)1-12(5,6)10-13(7,8)9/h(H2,7,8,9)(H4,1,2,3,4,5,6)

InChIKey:

PELPUMGXMYVGSQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O
ACDLabs 10.04	O=P(OP(=O)(O)O)(O)NP(=O)(O)O
OpenEye OEToolkits 1.5.0	N(P(=O)(O)O)P(=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0	N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O
CACTVS 3.341	O[P](O)(=O)N[P@@](O)(=O)O[P](O)(O)=O

Name:

(DIPHOSPHONO)AMINOPHOSPHONIC ACID

DrugBank:

DB03075

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).