SEQ2FUN

BioLiP

PDB CCD ID: YY1
Number of entries in BioLiP: 1
Chemical formula: C3 H5 N3 S
InChI: InChI=1S/C3H5N3S/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)
InChIKey: OUZCWDMJTKYHCA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1[nH]c(S)nn1
ACDLabs 12.01Sc1nnc(n1)C
OpenEye OEToolkits 1.9.2Cc1[nH]c(nn1)S
Name:5-methyl-4H-1,2,4-triazole-3-thiol
ChEMBL: CHEMBL1935505
ZINC: ZINC000005764944
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).