BioLiP

PDB

BioLiP

PDB CCD ID:

A1EEB

Number of entries in BioLiP:

Chemical formula:

C7 H4 F N O S

InChI:

InChI=1S/C7H4FNOS/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)

InChIKey:

WLQRIPHXCTXOQC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1F)SNC2=O
CACTVS 3.385	Fc1ccc2C(=O)NSc2c1

Name:

6-fluoranyl-1,2-benzothiazol-3-one

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).