BioLiP

PDB

BioLiP

PDB CCD ID:

9UW

Number of entries in BioLiP:

Chemical formula:

C3 H2 N2 O S

InChI:

InChI=1S/C3H2N2OS/c6-2-1-4-3(7)5-2/h1H,(H,5,6,7)

InChIKey:

KAKLKODZMNCHIC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1=NC(=S)NC1=O
CACTVS 3.385	O=C1NC(=S)N=C1

Name:

2-sulfanylideneimidazol-4-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).