Reaction Details Report a problem with these data
Target
Tegument protein VP16
Ligand
BDBM59559
Substrate
n/a
Meas. Tech.
Counterscreen for inhibitors of the Steroid Receptor Coactivator 3 (SRC3; NCOA3)
IC50
30582±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:
BDBM59559
Synonyms:
2-[2-[3-(2-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoic acid | 2-[[2-[(4-keto-3-o-phenetyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid | 2-[[2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoic acid | 2-[[2-[[3-(2-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid | MLS001179719 | SMR000589576 | cid_4855101
Type:
Small organic molecule
Emp. Form.:
C25H21N3O5S
Mol. Mass.:
475.516
SMILES:
CCOc1ccccc1-n1c(SCC(=O)Nc2ccccc2C(O)=O)nc2ccccc2c1=O |(4.41,-2.55,;5.75,-1.78,;7.08,-2.55,;7.08,-4.09,;5.75,-4.86,;5.75,-6.4,;7.08,-7.17,;8.41,-6.4,;8.41,-4.86,;9.75,-4.09,;9.75,-2.55,;8.41,-1.78,;8.41,-.24,;7.08,.53,;5.75,-.24,;7.08,2.07,;5.75,2.84,;4.41,2.07,;3.08,2.84,;3.08,4.38,;4.41,5.15,;5.75,4.38,;7.08,5.15,;7.08,6.69,;8.41,4.38,;11.08,-1.78,;12.42,-2.55,;13.79,-1.73,;15.19,-2.52,;15.19,-4.12,;13.79,-4.91,;12.42,-4.09,;11.08,-4.86,;11.08,-6.4,)|
Structure:
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