BioLiP

PDB

BioLiP

PDB CCD ID:

L6F

Number of entries in BioLiP:

Chemical formula:

C15 H16 N2

InChI:

InChI=1S/C15H16N2/c16-14-8-4-7-13-12(14)9-10-17-15(13)11-5-2-1-3-6-11/h1-8,15,17H,9-10,16H2/t15-/m1/s1

InChIKey:

SJAZZYOCOXNSIX-OAHLLOKOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cccc2[C@H](NCCc12)c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2c3cccc(c3CCN2)N
CACTVS 3.385	Nc1cccc2[CH](NCCc12)c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)[C@@H]2c3cccc(c3CCN2)N
ACDLabs 12.01	Nc1cccc2c1CCNC2c1ccccc1

Name:

(1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-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).