Reaction Details Report a problem with these data
Target
Capsid scaffolding protein
Ligand
BDBM59216
Substrate
n/a
Meas. Tech.
Competitive Assay
pH
5.52±0
Ki
1130± 2.0 nM
IC50
4.4e+3± 1e+2 nM
Citation
 Bowman, MJ; Byrne, S; Chmielewski, J Switching between allosteric and dimerization inhibition of HIV-1 protease. Chem Biol 12:439-44 (2005) [PubMed]  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:
BDBM59216
Synonyms:
Pepstatin analog, 4
Type:
Peptide
Emp. Form.:
C47H72N6O10
Mol. Mass.:
881.1088
SMILES:
CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1cccc(O)c1 |r|
Structure:
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