BioLiP

PDB

BioLiP

PDB CCD ID:

A1END

Number of entries in BioLiP:

Chemical formula:

C4 H3 F N2 O S

InChI:

InChI=1S/C4H3FN2OS/c5-2-1-6-4(8)7-3(2)9/h1H,(H2,6,7,8,9)

InChIKey:

SOEINGHMICSQAA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1=C(C(=S)NC(=O)N1)F
CACTVS 3.385	FC1=CNC(=O)NC1=S

Name:

5-fluoranyl-4-sulfanylidene-1~{H}-pyrimidin-2-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).