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Reaction Details
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TargetHIV-1 Protease
LigandBDBM888
Substrate/CompetitorHIV-1 Peptide Substrate
Meas. Tech.Protease Inhibition Assay
pH5.5±n/a
Temperature303.15±n/a K
IC50 0.2±n/a nM
Citation Thompson, WJFitzgerald, PMHolloway, MKEmini, EADarke, PLMcKeever, BMSchleif, WAQuintero, JCZugay, JATucker, TJ Synthesis and antiviral activity of a series of HIV-1 protease inhibitors with functionality tethered to the P1 or P1' phenyl substituents: X-ray crystal structure assisted design. J Med Chem35:1685-701 (1992) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   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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BDBM888
NameBDBM888
Synonyms:L-685,434 deriv. 36 | N-(2(R)-Hydroxy-1(S)-indanyl)-5(S)-[(tert-butyloxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2(R)-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]hexanamide | tert-butyl N-[(2S,3S,5R)-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-5-({4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl}methyl)-1-phenylpentan-2-yl]carbamate
TypeSmall organic molecule
Emp. Form.C40H54N4O6
Mol. Mass.686.88
SMILESCN1CCN(CCOc2ccc(C[C@H](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)cc2)CC1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
HIV-1 Peptide Substrate
Name:HIV-1 Peptide Substrate
Synonyms:n/a
Type:Peptide
Mol. Mass.:4333.31
Organism:n/a
Description:n/a
Residue:40
Sequence:
H-Val-Ser-Gln-Asn-(L-beta-napthylalanine)-Pro-Ile-Val-OH