SEQ2FUN

BioLiP

PDB CCD ID: A1CDY
Number of entries in BioLiP: 1
Chemical formula: C4 H7 N3 S
InChI: InChI=1S/C4H7N3S/c1-3-6-7-4(5-2)8-3/h1-2H3,(H,5,7)
InChIKey: VJRHHVGPZXCQSS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNc1sc(C)nn1
ACDLabs 14.52Cc1nnc(NC)s1
OpenEye OEToolkits 3.1.0.0Cc1nnc(s1)NC
Name:N,5-dimethyl-1,3,4-thiadiazol-2-amine
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).