BioLiP

PDB

BioLiP

PDB CCD ID:

Q95

Number of entries in BioLiP:

Chemical formula:

C14 H15 N S

InChI:

InChI=1S/C14H15NS/c1-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)10-15/h2-9H,10,15H2,1H3

InChIKey:

CGBSXMIZWLICSP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1ccccc1Sc2ccccc2CN

Name:

[2-(2-methylphenyl)sulfanylphenyl]methanamine

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).