Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50281467
Substrate
n/a
Meas. Tech.
ChEBML_79957
Ki
160000±n/a nM
Citation
 Schirlin, D; Baltzer, S; Dorsselaer, VV; Weber, F; Weill, C; Altenburger, JM; Neises, B; Flynn, G; Rémy, JM; Tarnus, C Short and unexpectedly potent difluorostatone type inhibitors of HIV-1 protease Bioorg Med Chem Lett 3:253-258 (1993)    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:
BDBM50281467
Synonyms:
CHEMBL2370046 | {1-[1-(1-{1-Benzyl-3,3-difluoro-4-[2-(2-methoxyamino-3-methyl-butyrylamino)-3-methyl-butyrylamino]-2,4-dioxo-butylcarbamoyl}-ethylcarbamoyl)-ethylcarbamoyl]-2-hydroxy-ethyl}-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C36H55F2N7O11
Mol. Mass.:
799.859
SMILES:
CON[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC(=O)C(F)(F)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C |r|
Structure:
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