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BioLiP

PDB CCD ID: 9DY
Number of entries in BioLiP: 2
Chemical formula: C7 H5 N3 S
InChI: InChI=1S/C7H5N3S/c1-3-8-4-2-6(1)7-5-11-10-9-7/h1-5H
InChIKey: CBBNSZNUEUONCU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(csnn1)c2ccncc2
CACTVS 3.385s1cc(nn1)c2ccncc2
OpenEye OEToolkits 2.0.6c1cnccc1c2csnn2
Name:4-(1,2,3-thiadiazol-4-yl)pyridine
ZINC: ZINC000001383115
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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