BioLiP

PDB

BioLiP

PDB CCD ID:

M1H

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2

InChI:

InChI=1S/C10H14N2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h6-7H,2-5H2,1H3,(H,11,12)

InChIKey:

KZFXOHUERSGRGX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNc1ccnc2c1CCCC2
CACTVS 3.385	CNc1ccnc2CCCCc12

Name:

~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine

ZINC:

ZINC000221030809

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).