Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM325
Substrate
Fluorogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5±n/a
Temperature
303.15±n/a K
Ki
2200±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:
BDBM325
Synonyms:
(3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-4,5-dihydroxy-2,7-bis[(N-2-thiazolylcarbamoyl)methyl]-1,2,7-thiadiazepine 1,1-Dioxide | 2-[(3R,4S,5S,6R)-4,5-dihydroxy-1,1-dioxo-3,6-bis(phenoxymethyl)-7-[(1,3-thiazol-2-ylcarbamoyl)methyl]-1,2,7-thiadiazepan-2-yl]-N-(1,3-thiazol-2-yl)acetamide | CHEMBL356225 | Cyclic Sulfamide deriv. 3
Type:
Small organic molecule
Emp. Form.:
C28H30N6O8S3
Mol. Mass.:
674.768
SMILES:
O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(CC(=O)Nc2nccs2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1 |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