Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHIV-1 Protease
LigandBDBM887
Substrate/CompetitorHIV-1 Peptide Substrate
Meas. Tech.Protease Inhibition Assay
pH5.5±n/a
Temperature303.15±n/a K
IC50 1.8±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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM887
NameBDBM887
Synonyms:L-685,434 deriv. 35 | N-(2(R)-Hydroxy-1(S)-indanyl)-5(S)-[(tert-butyloxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2(R)-[[4-[2-(1-pyrrolidinyl)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}-1-phenyl-5-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}methyl)pentan-2-yl]carbamate
TypeSmall organic molecule
Emp. Form.C39H51N3O6
Mol. Mass.657.8387
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |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