SEQ2FUN

BioLiP

PDB CCD ID: KTH
Number of entries in BioLiP: 0
Chemical formula: C4 H3 N O S
InChI: InChI=1S/C4H3NOS/c6-3-4-5-1-2-7-4/h1-3H
InChIKey: ZGTFNNUASMWGTM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=Cc1sccn1
ACDLabs 10.04O=Cc1nccs1
OpenEye OEToolkits 1.5.0c1csc(n1)C=O
Name:2-KETOTHIAZOLE
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).