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BioLiP

PDB CCD ID: ZLO
Number of entries in BioLiP: 2
Chemical formula: C5 H7 N3 O S2
InChI: InChI=1S/C5H7N3OS2/c1-3(9)6-4-7-5(10-2)8-11-4/h1-2H3,(H,6,7,8,9)
InChIKey: OMEQZPBOTOKCQC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CSc1nsc(NC(C)=O)n1
OpenEye OEToolkits 2.0.7CC(=O)Nc1nc(ns1)SC
Name:~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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