Reaction Details Report a problem with these data
Target
Tegument protein VP16
Ligand
BDBM87325
Substrate
n/a
Meas. Tech.
Counterscreen for inhibitors of the Steroid Receptor Coactivator 3 (SRC3; NCOA3)
IC50
28701±n/a nM
Citation
 PubChem, PC Counterscreen for inhibitors of the Steroid Receptor Coactivator 3 (SRC3; NCOA3): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16) PubChem Bioassay (2012)[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:
BDBM87325
Synonyms:
3-keto-4-[[4-(3-pyridyl)pyrimidin-2-yl]thio]butyric acid ethyl ester | 3-oxo-4-[[4-(3-pyridinyl)-2-pyrimidinyl]thio]butanoic acid ethyl ester | MLS000860980 | SMR000459764 | cid_608806 | ethyl 3-oxidanylidene-4-(4-pyridin-3-ylpyrimidin-2-yl)sulfanyl-butanoate | ethyl 3-oxo-4-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylbutanoate | ethyl 3-oxo-4-{[4-(3-pyridinyl)-2-pyrimidinyl]sulfanyl}butanoate
Type:
Small organic molecule
Emp. Form.:
C15H15N3O3S
Mol. Mass.:
317.363
SMILES:
CCOC(=O)CC(=O)CSc1nccc(n1)-c1cccnc1
Structure:
Search PDB for entries with ligand similarity: