Target
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,D531N]
Ligand
BDBM8125
Substrate
HIV Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.6±n/a
Temperature
310.15±n/a K
Ki
6.6±1.0 nM
Km
31000±5000 nM
Comments
Kcat/Km=7±1 min-1nM-1
Citation
 Kovalevsky, AYTie, YLiu, FBoross, PIWang, YFLeshchenko, SGhosh, AKHarrison, RWWeber, 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:
BDBM8125
Synonyms:
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate | CHEMBL1323 | Darunavir | Darunavir (DRV) | TMC-114 | UIC-94017 | US10806794, Compound Darunavir
Type:
Small organic molecule
Emp. Form.:
C27H37N3O7S
Mol. Mass.:
547.664
SMILES:
[H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
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