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BioLiP

PDB CCD ID: BP8
Number of entries in BioLiP: 1
Chemical formula: C9 H14 N6 S2
InChI: InChI=1S/C9H14N6S2/c10-8-14-12-6(16-8)4-2-1-3-5-7-13-15-9(11)17-7/h1-5H2,(H2,10,14)(H2,11,15)
InChIKey: KEOUOMDZUGENOX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CCc1nnc(s1)N)CCc2nnc(s2)N
ACDLabs 12.01n1nc(sc1CCCCCc2nnc(s2)N)N
CACTVS 3.370Nc1sc(CCCCCc2sc(N)nn2)nn1
Name:5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine)
ChEMBL: CHEMBL1704892
ZINC: ZINC000002898271
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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