Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM198
Substrate
fluorogenic peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
4.7±n/a
Temperature
303.15±n/a K
Ki
0.011±n/a nM
Comments
Citation
 Madhusoodan, VHosur, TNarayana, BKempf, DJBaldwin, ETLiu, BSGulnik, SWideburg, NENorbeck, DWAppelt, KErickson, JW INFLUENCE OF STEREOCHEMISTRY ON ACTIVITY AND BINDING MODES FOR C(2) SYMMETRY-BASED DIOL INHIBITORS OF HIV-1 PROTEASE. J Am Chem Soc 116:847-55 (1994)    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:
BDBM198
Synonyms:
(2S)-N-[(2S,3S,4S,5S)-3,4-dihydroxy-5-[(2S)-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide | A-76928 | JMC51852 Inhibitor PP
Type:
n/a
Emp. Form.:
C44H58N8O6
Mol. Mass.:
794.9813
SMILES:
CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
fluorogenic peptide substrate
Synonyms:
n/a
Type:
fluorogenic peptide
Mol. Mass.:
3550.86
Organism:
n/a
Description:
n/a
Residue:
33
Sequence:
DACYLGAASERGLNTYRPRILEVALGLNEDANS