Reaction Details Report a problem with these data
Target
Tegument protein VP16
Ligand
BDBM62681
Substrate
n/a
Meas. Tech.
Counterscreen for inhibitors of the Steroid Receptor Coactivator 3 (SRC3; NCOA3)
IC50
23096±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:
BDBM62681
Synonyms:
5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide | 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-triazolecarboxamide | 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide | 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-homoveratryl-triazole-4-carboxamide | 5-azanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-triazole-4-carboxamide | MLS000094772 | SMR000030325 | cid_3240166
Type:
Small organic molecule
Emp. Form.:
C21H23N5O5
Mol. Mass.:
425.4378
SMILES:
COc1ccc(CCNC(=O)c2nnn(c2N)-c2ccc3OCCOc3c2)cc1OC
Structure:
Search PDB for entries with ligand similarity: