BioLiP

PDB

BioLiP

PDB CCD ID:

OO8

Number of entries in BioLiP:

Chemical formula:

C15 H16 N O5 P

InChI:

InChI=1S/C15H16NO5P/c17-15(16-10-12-6-2-1-3-7-12)11-21-13-8-4-5-9-14(13)22(18,19)20/h1-9H,10-11H2,(H,16,17)(H2,18,19,20)

InChIKey:

LOUYKKOJKVDPIE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CNC(=O)COc2ccccc2P(=O)(O)O
CACTVS 3.385	O[P](O)(=O)c1ccccc1OCC(=O)NCc2ccccc2

Name:

[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic 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).