Reaction Details Report a problem with these data
Target
Capsid scaffolding protein
Ligand
BDBM59219
Substrate
n/a
Meas. Tech.
Zhang-Poorman Assay
pH
5.52±0
Ki
720± 135 nM
IC50
2.7e+3± 2e+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:
BDBM59219
Synonyms:
Pepstatin analog, 7
Type:
Small organic molecule
Emp. Form.:
C48H74N6O10
Mol. Mass.:
895.1354
SMILES:
COc1ccc(CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)O)cc1 |r|
Structure:
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