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TargetHIV-1 Protease Mutant (D30N)
LigandBDBM8125
Substrate/CompetitorHIV Peptide Substrate
Meas. Tech.Protease Inhibition Assay
pH5.6±n/a
Temperature310.15±n/a K
Ki 6.6±1.0 nM
Km31000±5000 nM
CommentsKcat/Km=71 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 Chem49:1379-87 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
HIV-1 Protease Mutant (D30N)
Name:HIV-1 Protease Mutant (D30N)
Synonyms:n/a
Type:Protein Complex
Mol. Mass.:n/a
Description:n/a
Components:This complex has 2 components.
Component 1
Name:HIV-1 Protease Mutant (D30N) chain A
Synonyms:HIV-1 Protease Mutant (D30N) chain B | LAI(D30N)
Type:Enzyme Subunit
Mol. Mass.:10732.13
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADNTVIEEMSLPGRWKPKMIGGIGGFIKVRQYD
QIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:HIV-1 Protease Mutant (D30N) chain A
Synonyms:HIV-1 Protease Mutant (D30N) chain B | LAI(D30N)
Type:Enzyme Subunit
Mol. Mass.:10732.13
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADNTVIEEMSLPGRWKPKMIGGIGGFIKVRQYD
QIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM8125
NameBDBM8125
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
TypeSmall 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
HIV Peptide Substrate
Name:HIV Peptide Substrate
Synonyms:n/a
Type:Peptide
Mol. Mass.:3156.95
Organism:n/a
Description:n/a
Residue:27
Sequence:
Ac-RE(Edans)SQNY*PIVRK(Dabcyl)R-CO-NH2