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TargetHIV-1 Protease
LigandBDBM4693
Substrate/CompetitorBDBM4685
Meas. Tech.Kinetic Competitive Displacement Assay
pH5.5±n/a
Temperature303.15±n/a K
Ki 0.00021±n/a nM
CommentsKi=r*KiGW0385, r is determined at equilibrium from measured [E[3H]GW0385] and total concentrations of E, [3H]GW0385, and compound.
Citation Miller JFFurfine ESHanlon MHHazen RJRay JARobinson LSamano VSpaltenstein A Novel arylsulfonamides possessing sub-picomolar HIV protease activities and potent anti-HIV activity against wild-type and drug-resistant viral strains. Bioorg Med Chem Lett 14:959-63 (2004) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
HIV-1 Protease
Name:HIV-1 Protease
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 chain A
Synonyms:HIV-1 Protease (NY5-type sequence)
Type:Enzyme Subunit
Mol. Mass.:10822.21
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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Component 2
Name:HIV-1 Protease chain A
Synonyms:HIV-1 Protease (NY5-type sequence)
Type:Enzyme Subunit
Mol. Mass.:10822.21
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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  Blast E-value cutoff:
BDBM4693
BDBM4685
NameBDBM4693
Synonyms:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(3-aminobenzene)({5-[(methoxycarbonyl)amino]-2,2-dimethylpentyl})sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate | arylsulfonamide 11b
TypeSmall organic molecule
Emp. Form.C32H46N4O9S
Mol. Mass.662.794
SMILES[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCNC(=O)OC)S(=O)(=O)c1cccc(N)c1 |r|
Structure
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