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BioLiP

PDB CCD ID: EBJ
Number of entries in BioLiP: 4
Chemical formula: C2 H3 N3 S
InChI: InChI=1S/C2H3N3S/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)
InChIKey: LLCOQBODWBFTDD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Sc1nnnc1
CACTVS 3.385Sc1[nH]nnc1
OpenEye OEToolkits 2.0.6c1c([nH]nn1)S
Name:1H-1,2,3-triazole-5-thiol
ZINC: ZINC000012405203
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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