Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50283953
Substrate
n/a
Meas. Tech.
ChEMBL_79807 (CHEMBL696067)
IC50
1.8±n/a nM
Citation
 Vacca, JP; Fitzgerald, PM; Holloway, MK; Hungate, RW; Starbuck, KE; Chen, LJ; Darke, PL; Anderson, PS; Huff, JR Conformationally constrained HIV-1 protease inhibitors Bioorg Med Chem Lett 4:499-504 (1994)    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:
BDBM50283953
Synonyms:
CHEMBL357039 | {(1S,2S)-1-Benzyl-3-[(S)-3-benzyl-1-((S)-2,2-dioxo-2lambda*6*-isothiochroman-4-yl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propyl}-carbamic acid (S)-(tetrahydro-furan-3-yl) ester
Type:
Small organic molecule
Emp. Form.:
C35H40N2O7S
Mol. Mass.:
632.766
SMILES:
O[C@@H](C[C@]1(Cc2ccccc2)CCN([C@@H]2CS(=O)(=O)Cc3ccccc23)C1=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1
Structure:
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