Reaction Details Report a problem with these data
Target
Capsid scaffolding protein
Ligand
BDBM59213
Substrate
n/a
Meas. Tech.
Competitive Assay
pH
5.52±0
Ki
220±10 nM
IC50
350±30 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:
BDBM59213
Synonyms:
Pepstatin analog, 1
Type:
Peptide
Emp. Form.:
C78H122N14O20
Mol. Mass.:
1575.8851
SMILES:
CCC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CO)C(=O)N[C@H](C(C)O)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(N)O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O |r|
Structure:
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