BioLiP

PDB

BioLiP

PDB CCD ID:

IKF

Number of entries in BioLiP:

Chemical formula:

C13 H12 O S

InChI:

InChI=1S/C13H12OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2/t15-/m0/s1

InChIKey:

FBPGAWABXWMRAR-HNNXBMFYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=[S](Cc1ccccc1)c2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CS(=O)c2ccccc2
CACTVS 3.385	O=[S@@](Cc1ccccc1)c2ccccc2

Name:

phenylsulfinylmethylbenzene

ZINC:

ZINC000000173124

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).