BioLiP

PDB

BioLiP

PDB CCD ID:

V7S

Number of entries in BioLiP:

Chemical formula:

C10 H14 S2

InChI:

InChI=1S/C10H14S2/c1-11-7-9-4-3-5-10(6-9)8-12-2/h3-6H,7-8H2,1-2H3

InChIKey:

NKECAPVBRBLMHU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	CSCc1cccc(c1)CSC
CACTVS 3.385	CSCc1cccc(CSC)c1

Name:

1,3-bis[(methylsulfanyl)methyl]benzene

ZINC:

ZINC000039220123

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).