BioLiP

PDB

BioLiP

PDB CCD ID:

U0U

Number of entries in BioLiP:

Chemical formula:

C16 H16 F2 N O5 P

InChI:

InChI=1S/C16H16F2NO5P/c17-16(18,12-6-2-1-3-7-12)11-19-15(20)10-24-13-8-4-5-9-14(13)25(21,22)23/h1-9H,10-11H2,(H,19,20)(H2,21,22,23)

InChIKey:

YXTJSWXZBWLQLV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(CNC(=O)COc2ccccc2P(=O)(O)O)(F)F
CACTVS 3.385	O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2ccccc2

Name:

[2-[2-[[2,2-bis(fluoranyl)-2-phenyl-ethyl]amino]-2-oxidanylidene-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).