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BioLiP

PDB CCD ID: 6F4
Number of entries in BioLiP: 4
Chemical formula: C7 H8 N4 S2
InChI: InChI=1S/C7H8N4S2/c8-6-10-11-7(13-6)9-4-5-2-1-3-12-5/h1-3H,4H2,(H2,8,10)(H,9,11)
InChIKey: KYOKGDLJKFUPBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1sc(NCc2sccc2)nn1
ACDLabs 12.01c1ccsc1CNc2nnc(s2)N
OpenEye OEToolkits 2.0.4c1cc(sc1)CNc2nnc(s2)N
Name:N~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine
ZINC: ZINC000033413714
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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