BioLiP

PDB

BioLiP

PDB CCD ID:

S2Y

Number of entries in BioLiP:

Chemical formula:

C14 H14 F N O

InChI:

InChI=1S/C14H14FNO/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3

InChIKey:

QHNUQKUZGHGTCA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1ccc(cc1)NCc2ccc(cc2)F
CACTVS 3.385	COc1ccc(NCc2ccc(F)cc2)cc1

Name:

~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline

ZINC:

ZINC000000575186

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).