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Target
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M]
Ligand
BDBM578
Substrate
HIV-1 Protease Substrate
Meas. Tech.
Enzyme Inhibition Assay
Ki
0.9±n/a nM
Citation
 Ali, A; Reddy, GS; Cao, H; Anjum, SG; Nalam, MN; Schiffer, CA; Rana, TM Discovery of HIV-1 protease inhibitors with picomolar affinities incorporating N-aryl-oxazolidinone-5-carboxamides as novel P2 ligands. J Med Chem 49:7342-56 (2006) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M]
Synonyms:
HIV-1 Protease Mutant M3 (L10I, L63P, A71V, G73S, I84V, L90M)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M]
Synonyms:
HIV-1 Protease Mutant M3 (Q7K,L10I, V64I, A71V, G73S, I84V, L90M) chain A | HIV-1 Protease Mutant M3 (Q7K,L10I, V64I, A71V, G73S, I84V, L90M) chain B | POL_HV1A2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10869.31
Organism:
Human immunodeficiency virus type 1
Description:
O38732 mutant
Residue:
99
Sequence:
PQITLWKRPIVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPIEICGHKVISTVLVGPTPVNVIGRNLMTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M]
Synonyms:
HIV-1 Protease Mutant M3 (Q7K,L10I, V64I, A71V, G73S, I84V, L90M) chain A | HIV-1 Protease Mutant M3 (Q7K,L10I, V64I, A71V, G73S, I84V, L90M) chain B | POL_HV1A2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10869.31
Organism:
Human immunodeficiency virus type 1
Description:
O38732 mutant
Residue:
99
Sequence:
PQITLWKRPIVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPIEICGHKVISTVLVGPTPVNVIGRNLMTQIGCTLNF
  
Inhibitor
Name:
BDBM578
Synonyms:
(2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide | ABT-378 | Aluviran | CHEMBL729 | LPV | Lopinavir
Type:
Small organic molecule
Emp. Form.:
C37H48N4O5
Mol. Mass.:
628.8008
SMILES:
CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV-1 Protease Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4728.18
Organism:
n/a
Description:
n/a
Residue:
44
Sequence:
ARGGLEDANSSERGLNASNTYRPRILEVALGLNLYSDACYLARG