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Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM343
Substrate
Fluorogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5±n/a
Temperature
303.15±n/a K
Ki
59±n/a nM
Citation
 Schaal, W; Karlsson, A; Ahlsen, G; Lindberg, J; Andersson, HO; Danielson, UH; Classon, B; Unge, T; Samuelsson, B; Hulten, J; Hallberg, A; Karlen, A Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors. J Med Chem 44:155-69 (2001) [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:
BDBM343
Synonyms:
(3R,4S,5S,6R)-2,7-bis[(3-acetylphenyl)methyl]-4,5-dihydroxy-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-1,1-dione | CHEMBL340986 | Cyclic Sulfamide deriv. 21
Type:
Small organic molecule
Emp. Form.:
C36H38N2O8S
Mol. Mass.:
658.761
SMILES:
CC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(c3)C(C)=O)S2(=O)=O)c1 |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