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Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM211
Substrate
HIV Protease peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
6±n/a
Temperature
310.15±n/a K
IC50
62±n/a nM
Comments
IC50 value had to be determined at suboptimal conditions at pH 6 in order to ensure solubility of inhibitors with different physicochemical properties.
Citation
 Fassler, A; Bold, G; Capraro, HG; Cozens, R; Mestan, J; Poncioni, B; Rosel, J; Tintelnot-Blomley, M; Lang, M Aza-peptide analogs as potent human immunodeficiency virus type-1 protease inhibitors with oral bioavailability. J Med Chem 39:3203-16 (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:
BDBM211
Synonyms:
2-methoxyethyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-N'-(cyclohexylmethyl)-2-[(methoxycarbonyl)amino]-3-methylbutanehydrazido]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate | CGP 53820 analog
Type:
n/a
Emp. Form.:
C33H55N5O8
Mol. Mass.:
649.8185
SMILES:
COCCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OC)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV Protease peptide substrate
Synonyms:
n/a
Type:
peptide
Mol. Mass.:
2417.69
Organism:
synthesized
Description:
n/a
Residue:
20
Sequence:
RRSNQVSQNYPIVQNIQGRR