BioLiP

PDB

BioLiP

PDB CCD ID:

FFN

Number of entries in BioLiP:

Chemical formula:

C13 H9 F N2 O S

InChI:

InChI=1S/C13H9FN2OS/c1-7-15-12(17)11-10(6-18-13(11)16-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,17)

InChIKey:

PEYKEBUFADUZJK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1=Nc2scc(c3ccc(F)cc3)c2C(=O)N1
OpenEye OEToolkits 2.0.6	CC1=Nc2c(c(cs2)c3ccc(cc3)F)C(=O)N1

Name:

5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one

ZINC:

ZINC000020345596

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).