BioLiP

PDB

BioLiP

PDB CCD ID:

OQE

Number of entries in BioLiP:

Chemical formula:

C16 H18 N O5 P

InChI:

InChI=1S/C16H18NO5P/c18-16(17-11-10-13-6-2-1-3-7-13)12-22-14-8-4-5-9-15(14)23(19,20)21/h1-9H,10-12H2,(H,17,18)(H2,19,20,21)

InChIKey:

FRNXSTXSXYWTDK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CCNC(=O)COc2ccccc2P(=O)(O)O
CACTVS 3.385	O[P](O)(=O)c1ccccc1OCC(=O)NCCc2ccccc2

Name:

[2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid

ZINC:

ZINC000013629125

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).