BioLiP

PDB

BioLiP

PDB CCD ID:

EOB

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O8 P2

InChI:

InChI=1S/C10H14N2O8P2/c13-9(5-21(15,16)17)11-7-2-1-3-8(4-7)12-10(14)6-22(18,19)20/h1-4H,5-6H2,(H,11,13)(H,12,14)(H2,15,16,17)(H2,18,19,20)

InChIKey:

BHGKTXYPXMTFLT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[P](O)(=O)CC(=O)Nc1cccc(NC(=O)C[P](O)(O)=O)c1
ACDLabs 10.04	O=C(Nc1cccc(c1)NC(=O)CP(=O)(O)O)CP(=O)(O)O
OpenEye OEToolkits 1.5.0	c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O

Name:

{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID);
2,2'-(1,3-PHENYLENEBIS(AZANEDIYL))BIS(2-OXOETHANE-2,1DIYL)DIPHOSPHONIC ACID

ZINC:

ZINC000024799401

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).