Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM865
Substrate
HIV Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
6.25±n/a
Temperature
310.15±n/a K
Ki
7.6±n/a nM
Citation
 Ettmayer, P; Billich, A; Hecht, P; Rosenwirth, B; Gstach, H Paracyclophanes: a novel class of water-soluble inhibitors of HIV proteinase. J Med Chem 39:3291-9 (1996) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [489-587]
Synonyms:
HIV-1 Protease
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM865
Synonyms:
1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 20 | benzyl N-[(1S)-1-{[(1S,2S)-1-[(10R,13R)-9,12-dioxo-10-(propan-2-yl)-2,5-dioxa-8,11,14-triazabicyclo[14.3.1]icosa-1(19),16(20),17-trien-13-yl]-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}-2-methylpropyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C40H53N5O8
Mol. Mass.:
731.8775
SMILES:
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2cccc(OCCOCCNC(=O)C(NC1=O)C(C)C)c2 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV Protease Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
3062.94
Organism:
Synthesized
Description:
n/a
Residue:
29
Sequence:
HLYSALAARGVALLEPNPHGLALANLENH