BioLiP

PDB

BioLiP

PDB CCD ID:

4X3

Number of entries in BioLiP:

Chemical formula:

C11 H16 N2

InChI:

InChI=1S/C11H16N2/c1-2-13-7-6-10-9(8-13)4-3-5-11(10)12/h3-5H,2,6-8,12H2,1H3

InChIKey:

BQEJAFIVZNAXGW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCN1CCc2c(N)cccc2C1
ACDLabs 12.01	C1N(Cc2c(C1)c(N)ccc2)CC
OpenEye OEToolkits 1.9.2	CCN1CCc2c(cccc2N)C1

Name:

2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine

ZINC:

ZINC000038032531

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).