Reaction Details Report a problem with these data
Target
Tegument protein VP16
Ligand
BDBM79788
Substrate
n/a
Meas. Tech.
Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16)
IC50
21972±n/a nM
Citation
 PubChem, PC Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16) PubChem Bioassay (2013)[AID] 
Target
Name:
Tegument protein VP16
Synonyms:
Alpha trans-inducing protein (VP16) | VP16_HHV11 | transactivating tegument protein VP16
Type:
PROTEIN
Mol. Mass.:
54325.13
Organism:
Human herpesvirus 1 (strain 17) (HHV-1) (Human herpes simplex virus1)
Description:
EBI_100271
Residue:
490
Sequence:
MDLLVDELFADMNADGASPPPPRPAGGPKNTPAAPPLYATGRLSQAQLMPSPPMPVPPAALFNRLLDDLGFSAGPALCTMLDTWNEDLFSALPTNADLYRECKFLSTLPSDVVEWGDAYVPERTQIDIRAHGDVAFPTLPATRDGLGLYYEALSRFFHAELRAREESYRTVLANFCSALYRYLRASVRQLHRQAHMRGRDRDLGEMLRATIADRYYRETARLARVLFLHLYLFLTREILWAAYAEQMMRPDLFDCLCCDLESWRQLAGLFQPFMFVNGALTVRGVPIEARRLRELNHIREHLNLPLVRSAATEEPGAPLTTPPTLHGNQARASGYFMVLIRAKLDSYSSFTTSPSEAVMREHAYSRARTKNNYGSTIEGLLDLPDDDAPEEAGLAAPRLSFLPAGHTRRLSTAPPTDVSLGDELHLDGEDVAMAHADALDDFDLDMLGDGDSPGPGFTPHDSAPYGALDMADFEFEQMFTDALGIDEYGG
  
Inhibitor
Name:
BDBM79788
Synonyms:
(2Z)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazole;iodide | (2Z)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazole;iodide | (2Z)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole;iodide | (2Z)-3-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole;iodide | 1-Ethyl-2-(3-ethyl-3H-benzothiazol-2-ylidenemethyl)-6-methyl-quinolinium | MLS002534550 | SMR000175945 | cid_12004724
Type:
Small organic molecule
Emp. Form.:
C22H23N2S
Mol. Mass.:
347.496
SMILES:
CCN1\C(Sc2ccccc12)=C\c1ccc2cc(C)ccc2[n+]1CC
Structure:
Search PDB for entries with ligand similarity: