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BioLiP

PDB CCD ID: HB3
Number of entries in BioLiP: 1
Chemical formula: C4 H8 N4 S
InChI: InChI=1S/C4H8N4S/c5-1-2-9-4-6-3-7-8-4/h3H,1-2,5H2,(H,6,7,8)
InChIKey: VKHQZYSNDYRJDZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1nc([nH]n1)SCCN
CACTVS 3.385NCCSc1[nH]ncn1
Name:2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
ZINC: ZINC000011851223
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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