BioLiP

PDB

BioLiP

PDB CCD ID:

0UI

Number of entries in BioLiP:

Chemical formula:

C11 H7 N O2 S

InChI:

InChI=1S/C11H7NO2S/c13-6-1-2-7-9(5-6)8-3-4-15-11(8)12-10(7)14/h1-5,13H,(H,12,14)

InChIKey:

UYVFDEFXTXVVAF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc2C(=O)Nc3sccc3c2c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1O)-c3ccsc3NC2=O

Name:

8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one

ChEMBL:

CHEMBL5077731

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).