BioLiP

PDB

BioLiP

PDB CCD ID:

A1CSV

Number of entries in BioLiP:

Chemical formula:

C12 H17 N

InChI:

InChI=1S/C12H17N/c1-13(2)12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,7-9H2,1-2H3/t12-/m0/s1

InChIKey:

WGCDXGZYCIMFTN-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CN(C)C1CCc2ccccc2C1
CACTVS 3.385	CN(C)[CH]1CCc2ccccc2C1
ACDLabs 14.52	CN(C)C1Cc2ccccc2CC1
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	CN(C)[C@H]1CCc2ccccc2C1

Name:

(2S)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

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).