SEQ2FUN

BioLiP

PDB CCD ID: TUL
Number of entries in BioLiP: 1
Chemical formula: C4 H4 N2 O S
InChI: InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKey: ZEMGGZBWXRYJHK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1C=CNC(=S)N1
CACTVS 3.385O=C1NC(=S)NC=C1
OpenEye OEToolkits 1.9.2C1=CNC(=S)NC1=O
Name:2-thioxo-2,3-dihydropyrimidin-4(1H)-one
ChEMBL: CHEMBL345768
ZINC: ZINC000005127810
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).