Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM190
Substrate
fluorogenic peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
4.7±n/a
Temperature
303.15±n/a K
Ki
0.49±n/a nM
Comments
Citation
 Sham, HL; Zhao, C; Stewart, KD; Betebenner, DA; Lin, S; Park, CH; Kong, XP; Rosenbrook, W; Herrin, T; Madigan, D; Vasavanonda, S; Lyons, N; Molla, A; Saldivar, A; Marsh, KC; McDonald, E; Wideburg, NE; Denissen, JF; Robins, T; Kempf, DJ; Plattner, JJ; Norbeck, DW A novel, picomolar inhibitor of human immunodeficiency virus type 1 protease. J Med Chem 39:392-7 (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:
BDBM190
Synonyms:
(5R,6R)-2,4-Bis[4-(hydroxymethyl)benzyl]-1-(3-furanylmethyl)-5-benzyl-6-hydroxy-3-oxo-1,2,4-triazacycloheptane | (5R,6R)-5-benzyl-1-(furan-3-ylmethyl)-6-hydroxy-2,4-bis({[4-(hydroxymethyl)phenyl]methyl})-1,2,4-triazepan-3-one | Azacyclic Urea | Unnamed azacyclic urea
Type:
n/a
Emp. Form.:
C32H35N3O5
Mol. Mass.:
541.6374
SMILES:
OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccoc3)N(Cc3ccc(CO)cc3)C2=O)cc1 |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