BioLiP

PDB

BioLiP

PDB CCD ID:

4WT

Number of entries in BioLiP:

Chemical formula:

C11 H15 N

InChI:

InChI=1S/C11H15N/c1-11(2)8-12-7-9-5-3-4-6-10(9)11/h3-6,12H,7-8H2,1-2H3

InChIKey:

QOWZBQAJZICMKD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC1(CNCc2c1cccc2)C
CACTVS 3.385	CC1(C)CNCc2ccccc12
ACDLabs 12.01	C2NCc1ccccc1C2(C)C

Name:

4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline

ZINC:

ZINC000019789204

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).