BioLiP

PDB

BioLiP

PDB CCD ID:

A1ED1

Number of entries in BioLiP:

Chemical formula:

C9 H14 N2

InChI:

InChI=1S/C9H14N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,7,10H2,1-2H3

InChIKey:

PDJZOFLRRJQYBF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C)c1ccc(CN)cc1
OpenEye OEToolkits 2.0.7	CN(C)c1ccc(cc1)CN

Name:

4-(aminomethyl)-N,N-dimethyl-aniline;
4-Dimethylaminobenzylamine

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).