Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM464
Substrate
n/a
Ki
0.7±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:
BDBM464
Synonyms:
5-tert-butyl-4-{[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-(propan-2-yl)-5,6-dihydro-2H-pyran-3-yl]sulfanyl}-2-methylphenyl 4-cyanobenzene-1-sulfonate | CHEMBL354504 | Dihydropyran-2-one deriv. 69
Type:
Small organic molecule
Emp. Form.:
C34H37NO6S2
Mol. Mass.:
619.791
SMILES:
CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3ccc(cc3)C#N)cc2C(C)(C)C)C(=O)O1
Structure:
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