BioLiP

PDB

BioLiP

PDB CCD ID:

AO0

Number of entries in BioLiP:

Chemical formula:

C20 H18 N O4 P

InChI:

InChI=1S/C20H18NO4P/c1-16(22)17-9-8-10-18(15-17)21-26(23,24-19-11-4-2-5-12-19)25-20-13-6-3-7-14-20/h2-15H,1H3,(H,21,23)

InChIKey:

UTGDURAFAYPCHO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)c1cccc(c1)NP(=O)(Oc2ccccc2)Oc3ccccc3
CACTVS 3.385	CC(=O)c1cccc(N[P](=O)(Oc2ccccc2)Oc3ccccc3)c1

Name:

1-[3-(diphenoxyphosphorylamino)phenyl]ethanone

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).