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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50422054
Substrate
n/a
Meas. Tech.
ChEMBL_158029 (CHEMBL877854)
IC50
1259±n/a nM
Citation
 Pérez, C; Pastor, M; Ortiz, AR; Gago, F Comparative binding energy analysis of HIV-1 protease inhibitors: incorporation of solvent effects and validation as a powerful tool in receptor-based drug design. J Med Chem 41:836-52 (1998) [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:
BDBM50422054
Synonyms:
CHEMBL111175
Type:
Small organic molecule
Emp. Form.:
C36H44N2O5
Mol. Mass.:
584.745
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)CCCN([C@@H]2[C@H](O)Cc3ccccc23)C1=O |r|
Structure:
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