Reaction Details Report a problem with these data
Target
Tegument protein VP16
Ligand
BDBM87281
Substrate
n/a
Meas. Tech.
Counterscreen for inhibitors of the Steroid Receptor Coactivator 3 (SRC3; NCOA3)
IC50
>11955±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:
BDBM87281
Synonyms:
MLS000335684 | N-[4-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanylphenyl]ethanamide | N-[4-[2-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide | N-[4-[[2-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]phenyl]acetamide | N-[4-[[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]phenyl]acetamide | SMR000253438 | cid_2111906
Type:
Small organic molecule
Emp. Form.:
C22H21FN2O2S
Mol. Mass.:
396.478
SMILES:
CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(c2C)-c2ccccc2F)cc1 |(5.52,9.58,;6.14,8.18,;7.68,8.02,;5.24,6.93,;5.87,5.52,;7.4,5.36,;8.02,3.96,;7.12,2.71,;7.74,1.3,;6.84,.06,;7.47,-1.35,;9,-1.51,;6.56,-2.59,;5.02,-2.59,;4.54,-4.06,;3.08,-4.54,;5.79,-4.96,;7.04,-4.06,;8.5,-4.54,;5.79,-6.5,;7.12,-7.27,;7.12,-8.81,;5.79,-9.58,;4.46,-8.81,;4.46,-7.27,;3.12,-6.5,;5.59,2.87,;4.96,4.28,)|
Structure:
Search PDB for entries with ligand similarity: