Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM467
Substrate
n/a
Ki
0.39±n/a nM
Citation
 Boyer, FE; Vara Prasad, JV; Domagala, JM; Ellsworth, EL; Gajda, C; Hagen, SE; Markoski, LJ; Tait, BD; Lunney, EA; Palovsky, A; Ferguson, D; Graham, N; Holler, T; Hupe, D; Nouhan, C; Tummino, PJ; Urumov, A; Zeikus, E; Zeikus, G; Gracheck, SJ; Sanders, JM; VanderRoest, S; Brodfuehrer, J; Iyer, K; Sinz, M; Gulnik, 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:
BDBM467
Synonyms:
(S)-N-(5-tert-Butyl-4-{4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-isopropyl-2-oxo-5,6-dihydro-2H-pyran-3-ylsulfanyl}-2-methylphenyl)-2-(5-trifluoromethyl)pyridinesulfonamide | CHEMBL2110203 | Dihydropyran-2-one deriv. 72 | N-(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)-5-(trifluoromethyl)pyridine-2-sulfonamide
Type:
Small organic molecule
Emp. Form.:
C33H37F3N2O6S2
Mol. Mass.:
678.782
SMILES:
CC(C)[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)cc2C(C)(C)C)C(=O)O1 |r|
Structure:
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