Reaction Details Report a problem with these data
Target
Tegument protein VP16
Ligand
BDBM42698
Substrate
n/a
IC50
>35889±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:
BDBM42698
Synonyms:
2-cyclohexyl-3-keto-N-(3-pyridylmethyl)isoindoline-4-carboxamide | 2-cyclohexyl-3-oxidanylidene-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide | 2-cyclohexyl-3-oxo-N-(3-pyridinylmethyl)-1H-isoindole-4-carboxamide | 2-cyclohexyl-3-oxo-N-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide | 2-cyclohexyl-3-oxo-N-(pyridin-3-ylmethyl)isoindoline-4-carboxamide | MLS000045296 | SMR000026888 | cid_3236714
Type:
Small organic molecule
Emp. Form.:
C21H23N3O2
Mol. Mass.:
349.4262
SMILES:
O=C(NCc1cccnc1)c1cccc2CN(C3CCCCC3)C(=O)c12
Structure:
Search PDB for entries with ligand similarity: