BioLiP

PDB

BioLiP

PDB CCD ID:

F8T

Number of entries in BioLiP:

Chemical formula:

C22 H25 N2 O

InChI:

InChI=1S/C22H24N2O/c1-24(2)16-17-7-11-20(12-8-17)23-21-13-9-18(10-14-21)19-5-4-6-22(15-19)25-3/h4-15,23H,16H2,1-3H3/p+1

InChIKey:

QEGGQWLIQSTRCS-UHFFFAOYSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2)c3cccc(c3)OC
CACTVS 3.385	COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)cc2

Name:

[4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium

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).