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BioLiP

PDB CCD ID: BP0
Number of entries in BioLiP: 1
Chemical formula: C8 H12 N6 S3
InChI: InChI=1S/C8H12N6S3/c9-7-13-11-5(16-7)1-3-15-4-2-6-12-14-8(10)17-6/h1-4H2,(H2,9,13)(H2,10,14)
InChIKey: AOAQKDDVWLOZFV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01S(CCc1nnc(s1)N)CCc2nnc(s2)N
OpenEye OEToolkits 1.7.6C(CSCCc1nnc(s1)N)c2nnc(s2)N
CACTVS 3.370Nc1sc(CCSCCc2sc(N)nn2)nn1
Name:5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine)
ChEMBL: CHEMBL2177758
ZINC: ZINC000001663350
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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