Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50147191
Substrate
n/a
Meas. Tech.
ChEMBL_158997 (CHEMBL763924)
IC50
1000±n/a nM
Citation
Yehia, NA; Antuch, W; Beck, B; Hess, S; Schauer-Vukasinovic, V; Almstetter, M; Furer, P; Herdtweck, E; Dömling, A Novel nonpeptidic inhibitors of HIV-1 protease obtained via a new multicomponent chemistry strategy. Bioorg Med Chem Lett 14:3121-5 (2004) [PubMed] Article
More Info.:
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:
BDBM50147191
Synonyms:
4-(1,5-Dimethyl-hex-4-enyl)-3-hydroxy-5-oxo-2-phenethyl-2,5-dihydro-furan-2-carboxylic acid tert-butylamide | CHEMBL104471
Type:
Small organic molecule
Emp. Form.:
C25H35NO4
Mol. Mass.:
413.5497
SMILES:
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1-[#6](=O)-[#8]C([#6]-[#6]-c2ccccc2)([#6](=O)-[#7]C([#6])([#6])[#6])[#6]-1=O