Reaction Details Report a problem with these data
Target
Tegument protein VP16
Ligand
BDBM100224
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
85421±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:
BDBM100224
Synonyms:
1-[(4-methylsulfanylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine;oxalic acid | 1-[4-(methylthio)benzyl]-4-(4-nitrobenzyl)piperazine;oxalic acid | 1-[[4-(methylthio)phenyl]methyl]-4-[(4-nitrophenyl)methyl]piperazine;oxalic acid | MLS000687652 | SMR000283413 | cid_16195181 | ethanedioic acid;1-[(4-methylsulfanylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
Type:
Small organic molecule
Emp. Form.:
C19H23N3O2S
Mol. Mass.:
357.47
SMILES:
CSc1ccc(CN2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)cc1
Structure:
Search PDB for entries with ligand similarity: