SEQ2FUN

BioLiP

PDB CCD ID: BP9
Number of entries in BioLiP: 1
Chemical formula: C8 H12 N6 S2
InChI: InChI=1S/C8H12N6S2/c9-7-13-11-5(15-7)3-1-2-4-6-12-14-8(10)16-6/h1-4H2,(H2,9,13)(H2,10,14)
InChIKey: FXLSMCSUYSZCFA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1sc(CCCCc2sc(N)nn2)nn1
OpenEye OEToolkits 1.7.6C(CCc1nnc(s1)N)Cc2nnc(s2)N
ACDLabs 12.01n1nc(sc1CCCCc2nnc(s2)N)N
Name:5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine)
ZINC: ZINC000095837056
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).