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Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM562
Substrate
HIV-1 Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
303.15±n/a K
IC50
23.8±n/a nM
Citation
 Ghosh, AK; Kincaid, JF; Walters, DE; Chen, Y; Chaudhuri, NC; Thompson, WJ; Culberson, C; Fitzgerald, PM; Lee, HY; McKee, SP; Munson, PM; Duong, TT; Darke, PL; Zugay, JA; Schleif, WA; Axel, MG; Lin, J; Huff, JR Nonpeptidal P2 ligands for HIV protease inhibitors: structure-based design, synthesis, and biological evaluation. J Med Chem 39:3278-90 (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:
BDBM562
Synonyms:
(2S,3S)-2-(methoxymethyl)-1,1-dioxo--thiolan-3-yl N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate | Isoquinoline furanyl urethane analog. 2
Type:
Small organic molecule
Emp. Form.:
C31H49N3O7S
Mol. Mass.:
607.802
SMILES:
[H][C@@]1(CCS(=O)(=O)[C@@]1([H])COC)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV-1 Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4333.31
Organism:
n/a
Description:
n/a
Residue:
40
Sequence:
HVALSERGLNASNLETANAPTHYLALANINEPRILEVALH