SEQ2FUN

BioLiP

PDB CCD ID: VE3
Number of entries in BioLiP: 0
Chemical formula: C9 H15 N3 O S
InChI: InChI=1S/C9H15N3OS/c1-4-7-8(14-11-10-7)9(13)12(5-2)6-3/h4-6H2,1-3H3
InChIKey: ACXPFDFOYMLQNM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN(CC)C(=O)c1snnc1CC
OpenEye OEToolkits 2.0.7CCc1c(snn1)C(=O)N(CC)CC
ACDLabs 12.01O=C(c1snnc1CC)N(CC)CC
Name:N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
ZINC: ZINC000058306281
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).