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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50613807
Substrate
n/a
Meas. Tech.
ChEMBL_2294250
Ki
388±n/a nM
Citation
 Ghosh, AK; Shahabi, D; Kipfmiller, M; Ghosh, AK; Johnson, M; Wang, YF; Agniswamy, J; Amano, M; Weber, IT; Mitsuya, H Evaluation of darunavir-derived HIV-1 protease inhibitors incorporating P2' amide-derivatives: Synthesis, biological evaluation and structural studies. Bioorg Med Chem Lett 83:0 (2023) [PubMed] 
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:
BDBM50613807
Synonyms:
CHEMBL5288746
Type:
Small organic molecule
Emp. Form.:
C32H46N4O8S
Mol. Mass.:
646.795
SMILES:
[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)CNC(C)C)cc1 |r|
Structure:
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