Ligand
Ligand Name:   TD3
Ligand Type:   non-polymer
Ligand ID:   COVPDB748 PubChem:   23002801
Synonym(s):  
  •   td-3
  • 6440-09-1
  • 4,4'-di(1,2,3-triazolyl)disulfide", "4,4'-di(1,2,3-triazolyl) disulfide hydrate
  • dithiobis(triazole)
  • schembl158090
  • dtxsid80629531
  • 4,4'-dithiobis(1,2,3-triazole)
  • zinc44075646
  • 4,4'-di(1,2,3-triazolyl) disulfide
  • bis(1h-1,2,3-triazole-4-yl) persulfide
  • 4-(2h-triazol-4-yldisulfanyl)-2h-triazole
  • d3855
  • 4,4'-disulfanediylbis(2h-1,2,3-triazole)"]
show 12 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1[nH]nnc1SSc2c[nH]nn2
Standard InChI:   InChI=1S/C4H4N6S2/c1-3(7-9-5-1)11-12-4-2-6-10-8-4/h1-2H,(H,5,7,9)(H,6,8,10)
Molecular Formula:   C4H4N6S2 Mol. Weight:   199.99388 logP:   0.7222
HBD:   2 HBA:   6
#Rotatable Bonds:   3 TPSA:   83.14

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Hemoglobin subunit beta P68871 (HBB_HUMAN) Homo sapiens (Human) 6BWU EBJ
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