BioLiP

PDB

BioLiP

PDB CCD ID:

2NX

Number of entries in BioLiP:

Chemical formula:

C9 H12 N O4 P

InChI:

InChI=1S/C9H12NO4P/c1-13-15(12,14-2)10-9(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,11,12)

InChIKey:

IJZVLPFIUWFOFA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	COP(=O)(NC(=O)c1ccccc1)OC
ACDLabs 12.01	O=C(NP(=O)(OC)OC)c1ccccc1
CACTVS 3.385	CO[P](=O)(NC(=O)c1ccccc1)OC

Name:

dimethyl benzoylphosphoramidate

ZINC:

ZINC000013739037

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).