Reaction Details Report a problem with these data
Target
Tegument protein VP16
Ligand
BDBM62958
Substrate
n/a
Meas. Tech.
Counterscreen for inhibitors of the Steroid Receptor Coactivator 3 (SRC3; NCOA3)
IC50
12769±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:
BDBM62958
Synonyms:
MLS000531259 | N'-(4-hydroxy-3-methoxybenzylidene)-N-(4-methylphenyl)-1,3-benzothiazole-2-carbohydrazonamide | N-[[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-N'-(4-methylphenyl)-1,3-benzothiazole-2-carboximidamide | N-[[(E)-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-N'-(4-methylphenyl)-1,3-benzothiazole-2-carboximidamide | N-[[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-N'-(4-methylphenyl)-1,3-benzothiazole-2-carboximidamide | N-[[(E)-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-N'-(p-tolyl)-1,3-benzothiazole-2-carboxamidine | SMR000136237 | cid_5735441
Type:
Small organic molecule
Emp. Form.:
C23H20N4O2S
Mol. Mass.:
416.496
SMILES:
COc1cc(C=NN=C(Nc2ccc(C)cc2)c2nc3ccccc3s2)ccc1O |w:7.6,5.4|
Structure:
Search PDB for entries with ligand similarity: