BioLiP

PDB

BioLiP

PDB CCD ID:

Z2Z

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O2 S

InChI:

InChI=1S/C10H9NO2S/c1-14(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3

InChIKey:

RPUNNHCLJDHINC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CS(=O)(=O)c1cccc2cccnc12
OpenEye OEToolkits 2.0.7	CS(=O)(=O)c1cccc2c1nccc2
CACTVS 3.385	C[S](=O)(=O)c1cccc2cccnc12

Name:

8-(methanesulfonyl)quinoline

ZINC:

ZINC000039140297

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).