Target
Tegument protein VP16
Ligand
BDBM76151
Substrate
n/a
Meas. Tech.
Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16)
IC50
13330±n/a nM
Citation
 PubChem, PC Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16) PubChem Bioassay (2013)[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:
BDBM76151
Synonyms:
4-[11-[[(2S)-2-[4-[5-(tert-butoxycarbonylamino)pentyl]triazol-1-yl]-3-hydroxy-propanoyl]amino]undecanoyl]piperazine-1-carboxylic acid tert-butyl ester | 4-[11-[[(2S)-3-hydroxy-2-[4-[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl]-1-triazolyl]-1-oxopropyl]amino]-1-oxoundecyl]-1-piperazinecarboxylic acid tert-butyl ester | Boc-KS | MLS002153745 | SMR001231171 | cid_24983197 | tert-butyl 4-[11-[[(2S)-2-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,2,3-triazol-1-yl]-3-oxidanyl-propanoyl]amino]undecanoyl]piperazine-1-carboxylate | tert-butyl 4-[11-[[(2S)-3-hydroxy-2-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]triazol-1-yl]propanoyl]amino]undecanoyl]piperazine-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C35H63N7O7
Mol. Mass.:
693.9174
SMILES:
CC(C)(C)OC(=O)NCCCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Structure:
Search PDB for entries with ligand similarity: