Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM910
Substrate
Chromogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
Ki
180±47 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:
BDBM910
Synonyms:
(2S)-N-[(2S,3S)-5-{[cyclohexyl(1H-indol-2-yl)methyl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]-2-(quinolin-2-ylformamido)butanediamide | 4-Hydroxy-5- ((N-2-quinaloyl-L-asparagyl)amino)-phenylhexanoic Acid (a-(2-indolyl)cyclohexylmethyl)amide | C-terminal inhibitor 8
Type:
Small organic molecule
Emp. Form.:
C41H46N6O5
Mol. Mass.:
702.8411
SMILES:
NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(C1CCCCC1)c1cc2ccccc2[nH]1 |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