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Target
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,D531N]
Ligand
BDBM517
Substrate
HIV Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.6±n/a
Temperature
310.15±n/a K
Ki
7.0±1.0 nM
Km
31000±5000 nM
Comments
Kcat/Km=7±1 min-1nM-1
Citation
 Kovalevsky, AY; Tie, Y; Liu, F; Boross, PI; Wang, YF; Leshchenko, S; Ghosh, AK; Harrison, RW; Weber, IT Effectiveness of nonpeptide clinical inhibitor TMC-114 on HIV-1 protease with highly drug resistant mutations D30N, I50V, and L90M. J Med Chem 49:1379-87 (2006) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,D531N]
Synonyms:
HIV-1 Protease Mutant (D30N)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,D531N]
Synonyms:
HIV-1 Protease Mutant (D30N) chain A | HIV-1 Protease Mutant (D30N) chain B | LAI(D30N) | POL_HV1BR | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10732.13
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599,Q508K,L534I,L564I,C568A,C596A,D531N]
Residue:
99
Sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADNTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
  
Component 2
Name:
Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,D531N]
Synonyms:
HIV-1 Protease Mutant (D30N) chain A | HIV-1 Protease Mutant (D30N) chain B | LAI(D30N) | POL_HV1BR | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10732.13
Organism:
Human immunodeficiency virus type 1
Description:
P03367[501-599,Q508K,L534I,L564I,C568A,C596A,D531N]
Residue:
99
Sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADNTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
  
Inhibitor
Name:
BDBM517
Synonyms:
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide | CHEMBL115 | Crixivan | INDINAVIR SULFATE | Indinavir | Indinavir, 19 | L-735, 524 | MK639
Type:
Small organic molecule
Emp. Form.:
C36H47N5O4
Mol. Mass.:
613.7895
SMILES:
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |@:19,@@:9|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
3156.95
Organism:
n/a
Description:
n/a
Residue:
27
Sequence:
ACREEDANSSQNYPIVRKDACYLRCNH