Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM1105
Substrate
Fluorescent peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
Ki
0.01±n/a nM
Citation
 De Lucca, GV; Liang, J; De Lucca, I Stereospecific synthesis, structure-activity relationship, and oral bioavailability of tetrahydropyrimidin-2-one HIV protease inhibitors. J Med Chem 42:135-52 (1999) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [489-587]
Synonyms:
HIV-1 Protease
Type:
Tandem linked enzyme construct
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM1105
Synonyms:
(4R,5R,6R)-Tetrahydro-1,3-bis[(3-(N-hydroxycarboximidamide)phenyl)methyl]-5-hydroxy-4-(2-(3,4-difluorophenyl)ethyl)-6-(3,4-fluorophenylmethyl)-2(1H)-pyrimidinone | 3-{[(4R,5R,6R)-6-[2-(3,4-difluorophenyl)ethyl]-4-[(3,4-difluorophenyl)methyl]-5-hydroxy-3-{[3-(N'-hydroxycarbamimidoyl)phenyl]methyl}-2-oxo-1,3-diazinan-1-yl]methyl}-N'-hydroxybenzene-1-carboximidamide | Tetrahydropyrimidinone deriv. 62
Type:
Small organic molecule
Emp. Form.:
C35H34F4N6O4
Mol. Mass.:
678.6759
SMILES:
ONC(=N)c1cccc(CN2[C@H](CCc3ccc(F)c(F)c3)[C@@H](O)[C@@H](Cc3ccc(F)c(F)c3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Fluorescent peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4608.75
Organism:
n/a
Description:
n/a
Residue:
42
Sequence:
AMINENYLALATHRHISGLNVALTYRPHENVALARGLYSALA