Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50078088
Substrate
n/a
Meas. Tech.
ChEMBL_79977 (CHEMBL690415)
pH
4.7±n/a
Ki
0.090000±n/a nM
Comments
extracted
Citation
 Ellsworth, EL; Domagala, J; Prasad, JV; Hagen, S; Ferguson, D; Holler, T; Hupe, D; Graham, N; Nouhan, C; Tummino, PJ; Zeikus, G; Lunney, EA 4-hydroxy-5,6-dihydro-2H-pyran-2-ones.3. Bicyclic and hetero-aromatic ring systems as 3-position scaffolds to bind to S1' and S2' of the HIV-1 protease enzyme. Bioorg Med Chem Lett 9:2019-24 (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:
BDBM50078088
Synonyms:
(S)-3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-6-isopropyl-5,6-dihydro-pyran-2-one | CHEMBL37037
Type:
Small organic molecule
Emp. Form.:
C28H36O5S
Mol. Mass.:
484.647
SMILES:
CC(C)[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
Structure:
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