Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM907
Substrate
Chromogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
Ki
43±10 nM
Citation
 Varney, MD; Appelt, K; Kalish, V; Reddy, MR; Tatlock, J; Palmer, CL; Romines, WH; Wu, BW; Musick, L Crystal-structure-based design and synthesis of novel C-terminal inhibitors of HIV protease. J Med Chem 37:2274-84 (1994) [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:
BDBM907
Synonyms:
(2S)-N-[(2S,3S)-3-hydroxy-5-{[1H-indol-2-yl(phenyl)methyl]carbamoyl}-1-phenylpentan-2-yl]-2-(quinolin-2-ylformamido)butanediamide | 4-Hydroxy-5-( (N-2-quinaloyl-L-asparagyl)amino)-6-phenylhexanoic Acid ((2-Indoly1)benzyl)amide | C-terminal inhibitor 5
Type:
Small organic molecule
Emp. Form.:
C41H40N6O5
Mol. Mass.:
696.7935
SMILES:
NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1cc2ccccc2[nH]1)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Chromogenic Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
3511.92
Organism:
n/a
Description:
n/a
Residue:
33
Sequence:
HISLYSALAARGVALLEPNPHEGLALANLESER