Reaction Details Report a problem with these data
Target
Tegument protein VP16
Ligand
BDBM87289
Substrate
n/a
Meas. Tech.
Counterscreen for inhibitors of the Steroid Receptor Coactivator 3 (SRC3; NCOA3)
IC50
15743±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:
BDBM87289
Synonyms:
2-[[4-[(5-methyl-2-thiazolin-2-yl)amino]anilino]methylene]malonic acid diethyl ester | 2-[[4-[(5-methyl-4,5-dihydrothiazol-2-yl)amino]anilino]methylidene]propanedioic acid diethyl ester | MLS000700484 | SMR000225883 | cid_389166 | diethyl 2-({4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]anilino}methylene)malonate | diethyl 2-[[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]anilino]methylidene]propanedioate | diethyl 2-[[[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]amino]methylidene]propanedioate
Type:
Small organic molecule
Emp. Form.:
C18H23N3O4S
Mol. Mass.:
377.458
SMILES:
CCOC(=O)C(C=Nc1ccc(NC2=NCC(C)S2)cc1)C(=O)OCC |w:7.7,t:13|
Structure:
Search PDB for entries with ligand similarity: