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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50078108
Substrate
n/a
Meas. Tech.
ChEMBL_159438 (CHEMBL763234)
pH
6.2±n/a
IC50
7.5±n/a nM
Comments
extracted
Citation
 Vara Prasad, JV; Boyer, FE; Domagala, JM; Ellsworth, EL; Gajda, C; Hagen, SE; Markoski, LJ; Tait, BD; Lunney, EA; Tummino, PJ; Ferguson, D; Holler, T; Hupe, D; Nouhan, C; Gracheck, SJ; VanderRoest, S; Saunders, J; Iyer, K; Sinz, M; Brodfuehrer, J Nonpeptidic HIV protease inhibitors: 6-alkyl-5,6-dihydropyran-2-ones possessing achiral 3-(4-amino/carboxamide-2-t-butyl,5-methylphenyl thio) moiety: antiviral activities and pharmacokinetic properties. Bioorg Med Chem Lett 9:1481-6 (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:
BDBM50078108
Synonyms:
3-(4-Amino-2-tert-butyl-5-methyl-phenylsulfanyl)-6-[2-(4-amino-phenyl)-ethyl]-4-hydroxy-6-isopropyl-5,6-dihydro-pyran-2-one | CHEMBL38269
Type:
Small organic molecule
Emp. Form.:
C27H36N2O3S
Mol. Mass.:
468.651
SMILES:
CC(C)C1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(N)cc2C(C)(C)C)C(=O)O1
Structure:
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