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BioLiP

PDB CCD ID: E45
Number of entries in BioLiP: 1
Chemical formula: C5 H9 N3 S
InChI: InChI=1S/C5H9N3S/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H2,6,7,8)
InChIKey: LSGLMPMOLFSULL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)c1nsc(N)n1
OpenEye OEToolkits 2.0.7CC(C)c1nc(sn1)N
Name:3-propan-2-yl-1,2,4-thiadiazol-5-amine
ZINC: ZINC000002506755
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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