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BioLiP

PDB CCD ID: A1AJO
Number of entries in BioLiP: 1
Chemical formula: C6 H6 N4 S
InChI: InChI=1S/C6H6N4S/c7-6-8-5(9-10-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10)
InChIKey: XMLRXJVRTGHHIJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Nc1nnc([NH]1)c1cccs1
OpenEye OEToolkits 2.0.7c1cc(sc1)c2[nH]c(nn2)N
CACTVS 3.385Nc1[nH]c(nn1)c2sccc2
Name:5-(thiophen-2-yl)-4H-1,2,4-triazol-3-amine
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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