Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [501-599]
Ligand
BDBM855
Substrate
Fluorogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5±n/a
Temperature
303.15±n/a K
Ki
0.3±n/a nM
Citation
 Alterman, M; Andersson, HO; Garg, N; Ahlsen, G; Lovgren, S; Classon, B; Danielson, UH; Kvarnstrom, I; Vrang, L; Unge, T; Samuelsson, B; Hallberg, A Design and fast synthesis of C-terminal duplicated potent C(2)-symmetric P1/P1'-modified HIV-1 protease inhibitors. J Med Chem 42:3835-44 (1999) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [501-599]
Synonyms:
HIV-1 Protease | HIV-1 Protease, recombinant, isolate HXB2
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [501-599]
Synonyms:
BRU isolated | HIV-1 Protease B Subtype Chain A | HIV-1 Protease B Subtype Chain B | HIV-1 Protease chain A | LAI(Wild type) | POL_HV1BR | Protease Retropepsin | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10795.19
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [501-599]
Synonyms:
BRU isolated | HIV-1 Protease B Subtype Chain A | HIV-1 Protease B Subtype Chain B | HIV-1 Protease chain A | LAI(Wild type) | POL_HV1BR | Protease Retropepsin | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10795.19
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM855
Synonyms:
(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis({[4-(2-hydroxy-3-oxocyclohex-1-en-1-yl)phenyl]methoxy})-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide | C2-Symmetric inhibitor 13 | CHEMBL338428 | N1,N6-Bis[(1S)-2-methyl-1-(methylcarbamoyl)pro-pyl](2R,3R,4R,5R)-2,5-bis[4-(3-cyclohexane-1,2-dionyl)benzyloxy]-3,4-dihydroxyhexanediamide
Type:
Small organic molecule
Emp. Form.:
C44H58N4O12
Mol. Mass.:
834.9509
SMILES:
CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)C1CCCC(=O)C1=O)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)C1CCCC(=O)C1=O)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Fluorogenic Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4156.59
Organism:
n/a
Description:
n/a
Residue:
39
Sequence:
DACYLGAMMAASERGLNASNTYRPRILEVALGLNEDANS