BioLiP

PDB

BioLiP

PDB CCD ID:

U3N

Number of entries in BioLiP:

Chemical formula:

C13 H12 F N3 O2 S Se

InChI:

InChI=1S/C13H12FN3O2SSe/c14-9-1-3-10(4-2-9)16-13(21)17-11-5-7-12(8-6-11)20(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,21)

InChIKey:

WEUISFFZQUMPMK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1NC(=[Se])Nc2ccc(cc2)S(=O)(=O)N)F
CACTVS 3.385	N[S](=O)(=O)c1ccc(NC(=[Se])Nc2ccc(F)cc2)cc1

Name:

1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea

ChEMBL:

CHEMBL4212937

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).