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BioLiP

PDB CCD ID: K34
Number of entries in BioLiP: 13
Chemical formula: C5 H4 N4 S
InChI: InChI=1S/C5H4N4S/c1-2-10-5(6-1)4-7-3-8-9-4/h1-3H,(H,7,8,9)
InChIKey: WFEGFRJBAYCOHP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1csc(n1)c2[nH]ncn2
ACDLabs 12.01n1c(ncn1)c2nccs2
CACTVS 3.385[nH]1ncnc1c2sccn2
Name:5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole
ZINC: ZINC000061844368
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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