BioLiP

PDB

BioLiP

PDB CCD ID:

A1IHK

Number of entries in BioLiP:

Chemical formula:

C13 H14 N2

InChI:

InChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2

InChIKey:

YBRVSVVVWCFQMG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1Cc2ccc(cc2)N)N
CACTVS 3.385	Nc1ccc(Cc2ccc(N)cc2)cc1

Name:

4-[(4-aminophenyl)methyl]aniline

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).