Reaction Details Report a problem with these data
Target
Tegument protein VP16
Ligand
BDBM95681
Substrate
n/a
IC50
>35858±n/a nM
Citation
 PubChem, PC Counterscreen for inverse agonists of the liver receptor homolog-1 (LRH-1; NR5A2): 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:
BDBM95681
Synonyms:
1-benzyl-6-keto-pyridazine-3-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester | 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester | MLS000098402 | SMR000063974 | [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate | [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate | cid_2128937
Type:
Small organic molecule
Emp. Form.:
C22H19N3O6
Mol. Mass.:
421.4028
SMILES:
O=C(COC(=O)c1ccc(=O)n(Cc2ccccc2)n1)Nc1ccc2OCCOc2c1
Structure:
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