BioLiP

PDB

BioLiP

PDB CCD ID:

A1IR5

Number of entries in BioLiP:

Chemical formula:

C6 H4 N2 O S2

InChI:

InChI=1S/C6H4N2OS2/c9-4-3-1-2-11-5(3)8-6(10)7-4/h1-2H,(H2,7,8,9,10)

InChIKey:

SJFBCDCLMGDIRN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	SC1=Nc2sccc2C(=O)N1
OpenEye OEToolkits 2.0.7	c1csc2c1C(=O)NC(=N2)S

Name:

2-sulfanyl-3~{H}-thieno[2,3-d]pyrimidin-4-one

ChEMBL:

CHEMBL1462635

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).