BioLiP

PDB

BioLiP

PDB CCD ID:

A1ENO

Number of entries in BioLiP:

Chemical formula:

C10 H16 N2

InChI:

InChI=1S/C10H16N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,11H2,1H3

InChIKey:

WGHBKYWUOOANEX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN(CCCN)c1ccccc1

Name:

N'-methyl-N'-phenyl-propane-1,3-diamine

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).