BioLiP

PDB

BioLiP

PDB CCD ID:

YGV

Number of entries in BioLiP:

Chemical formula:

C7 H7 Cl S

InChI:

InChI=1S/C7H7ClS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3

InChIKey:

IHLDFHCSSCVPQW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385 OpenEye OEToolkits 2.0.7	CSc1ccccc1Cl

Name:

1-chloro-2-(methylsulfanyl)benzene

ZINC:

ZINC000000404216

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).