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BioLiP

PDB CCD ID: 3KN
Number of entries in BioLiP: 4
Chemical formula: C7 H7 N5 S
InChI: InChI=1S/C7H7N5S/c8-5-1-2-10-3-4(5)6-11-12-7(9)13-6/h1-3H,(H2,8,10)(H2,9,12)
InChIKey: MNHIQWZHQXNGMA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2cc(c1nnc(s1)N)c(N)cc2
OpenEye OEToolkits 1.9.2c1cncc(c1N)c2nnc(s2)N
CACTVS 3.385Nc1sc(nn1)c2cnccc2N
Name:3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine
ChEMBL: CHEMBL1650277
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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