Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM472
Substrate
n/a
Ki
0.03±n/a nM
Citation
 Boyer, FEVara Prasad, JVDomagala, JMEllsworth, ELGajda, CHagen, SEMarkoski, LJTait, BDLunney, EAPalovsky, AFerguson, DGraham, NHoller, THupe, DNouhan, CTummino, PJUrumov, AZeikus, EZeikus, GGracheck, SJSanders, JMVanderRoest, SBrodfuehrer, JIyer, KSinz, MGulnik, SV 5,6-Dihydropyran-2-ones possessing various sulfonyl functionalities: potent nonpeptidic inhibitors of HIV protease. J Med Chem 43:843-58 (2000) [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:
BDBM472
Synonyms:
5-tert-butyl-4-{[(6S)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-2-oxo-6-(propan-2-yl)-5,6-dihydro-2H-pyran-3-yl]sulfanyl}-2-methylphenyl methanesulfonate | CHEMBL2110204 | Dihydropyran-2-one deriv. 77
Type:
Small organic molecule
Emp. Form.:
C28H36O7S2
Mol. Mass.:
548.711
SMILES:
CC(C)[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(C)(=O)=O)cc2C(C)(C)C)C(=O)O1 |r|
Structure:
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