BioLiP

PDB

BioLiP

PDB CCD ID:

6QV

Number of entries in BioLiP:

Chemical formula:

C12 H10 N O5 P

InChI:

InChI=1S/C12H10NO5P/c14-13(15)10-6-8-11(9-7-10)18-19(16,17)12-4-2-1-3-5-12/h1-9H,(H,16,17)

InChIKey:

NRGZTHQFAQCJCQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[P](=O)(Oc1ccc(cc1)[N+]([O-])=O)c2ccccc2
OpenEye OEToolkits 2.0.5	c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)[N+](=O)[O-]

Name:

(4-nitrophenoxy)-phenyl-phosphinic acid

ZINC:

ZINC000004352629

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).