BioLiP

PDB

BioLiP

PDB CCD ID:

2PB

Number of entries in BioLiP:

Chemical formula:

C7 H5 O5 P

InChI:

InChI=1S/C7H7O5P/c8-7(9)5-3-1-2-4-6(5)12-13(10)11/h1-4,13H,(H,8,9)(H,10,11)/p-2

InChIKey:

BTPFLIXGJHTRNG-UHFFFAOYSA-L

SMILES:

Software	SMILES
CACTVS 3.341	[O-]C(=O)c1ccccc1O[PH]([O-])=O
OpenEye OEToolkits 1.5.0	c1ccc(c(c1)C(=O)[O-])O[P@H](=O)[O-]
OpenEye OEToolkits 1.5.0	c1ccc(c(c1)C(=O)[O-])OP(=O)[O-]
ACDLabs 10.04	O=P([O-])Oc1ccccc1C([O-])=O

Name:

2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE

DrugBank:

DB04340

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).