SEQ2FUN

BioLiP

PDB CCD ID: LDB
Number of entries in BioLiP: 1
Chemical formula: C4 H4 N2 O S
InChI: InChI=1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)
InChIKey: OVONXEQGWXGFJD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=CNC(=O)NC1=S
CACTVS 3.385O=C1NC=CC(=S)N1
Name:4-Thiouracil;
4-sulfanylidene-1~{H}-pyrimidin-2-one
ChEMBL: CHEMBL1650608
ZINC: ZINC000005117659
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).