Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM1018
Substrate
n/a
Meas. Tech.
ChEMBL_157555 (CHEMBL763307)
Ki
0.100000±n/a nM
Citation
 Janakiraman, MN; Watenpaugh, KD; Tomich, PK; Chong, KT; Turner, SR; Tommasi, RA; Thaisrivongs, S; Strohbach, JW Non-peptidic HIV protease inhibitors: C2-symmetry-based design of bis-sulfonamide dihydropyrones. Bioorg Med Chem Lett 8:1237-42 (1999) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM1018
Synonyms:
5-cyano-N-(3-{1-[4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)pyridine-2-sulfonamide | CHEMBL21405 | N-[3-{1(R,S)-(5,6-Dihydro-4-hydroxy-2-oxo-6(R,S)-phenethyl-6-propyl-2H-pyran-3-yl)propyl}phenyl]-5-cyanopyridine-2-sulfonamide | Tipranavir deriv. 33
Type:
Small organic molecule
Emp. Form.:
C31H33N3O5S
Mol. Mass.:
559.676
SMILES:
CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(=O)O1
Structure:
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