BioLiP

PDB

BioLiP

PDB CCD ID:

8EU

Number of entries in BioLiP:

Chemical formula:

C9 H12 N O5 P

InChI:

InChI=1S/C9H12NO5P/c1-2-16(13,14)15-7-8-3-5-9(6-4-8)10(11)12/h3-6H,2,7H2,1H3,(H,13,14)

InChIKey:

JKNVUUFWZPUKAB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC[P](O)(=O)OCc1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 2.0.6	CCP(=O)(O)OCc1ccc(cc1)[N+](=O)[O-]

Name:

ethyl-[(4-nitrophenyl)methoxy]phosphinic acid

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).