Reaction Details Report a problem with these data
Target
Capsid scaffolding protein
Ligand
BDBM50289666
Substrate
n/a
Meas. Tech.
ChEBML_158648
IC50
6300±n/a nM
Citation
 Jarvest, RL; Connor, SC; Gorniak, JG; Jennings, LJ; Serafinowska, HT; West, A Potent selective thienoxazinone inhibitors of herpes proteases Bioorg Med Chem Lett 7:1733-1738 (1997)    Article 
Target
Name:
Capsid scaffolding protein
Synonyms:
Human herpesvirus 1 protease | SCAF_HHV11 | UL26
Type:
PROTEIN
Mol. Mass.:
66472.05
Organism:
Human herpesvirus 1 (strain 17) (HHV-1) (Human herpes simplex virus1)
Description:
ChEMBL_158648
Residue:
635
Sequence:
MAADAPGDRMEEPLPDRAVPIYVAGFLALYDSGDSGELALDPDTVRAALPPDNPLPINVDHRAGCEVGRVLAVVDDPRGPFFVGLIACVQLERVLETAASAAIFERRGPPLSREERLLYLITNYLPSVSLATKRLGGEAHPDRTLFAHVALCAIGRRLGTIVTYDTGLDAAIAPFRHLSPASREGARRLAAEAELALSGRTWAPGVEALTHTLLSTAVNNMMLRDRWSLVAERRRQAGIAGHTYLQASEKFKMWGAEPVSAPARGYKNGAPESTDIPPGSIAAAPQGDRCPIVRQRGVALSPVLPPMNPVPTSGTPAPAPPGDGSYLWIPASHYNQLVAGHAAPQPQPHSAFGFPAAAGSVAYGPHGAGLSQHYPPHVAHQYPGVLFSGPSPLEAQIAALVGAIAADRQAGGQPAAGDPGVRGSGKRRRYEAGPSESYCDQDEPDADYPYYPGEARGAPRGVDSRRAARHSPGTNETITALMGAVTSLQQELAHMRARTSAPYGMYTPVAHYRPQVGEPEPTTTHPALCPPEAVYRPPPHSAPYGPPQGPASHAPTPPYAPAACPPGPPPPPCPSTQTRAPLPTEPAFPPAATGSQPEASNAEAGALVNASSAAHVDVDTARAADLFVSQMMGAR
  
Inhibitor
Name:
BDBM50289666
Synonyms:
CHEMBL47729 | [(S)-3-Carbamoyl-1-(4-oxo-4H-thieno[3,2-d][1,3]oxazin-2-yl)-propyl]-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C18H17N3O5S
Mol. Mass.:
387.41
SMILES:
NC(=O)CC[C@H](NC(=O)OCc1ccccc1)c1nc2ccsc2c(=O)o1
Structure:
Search PDB for entries with ligand similarity: