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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50455442
Substrate
n/a
Meas. Tech.
ChEMBL_158029 (CHEMBL877854)
IC50
162±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:
BDBM50455442
Synonyms:
CHEMBL2367848
Type:
Small organic molecule
Emp. Form.:
C29H40N2O6
Mol. Mass.:
512.6377
SMILES:
[H][C@](O)(C[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(C(C)C)C(O)=O)[C@]([H])(Cc1ccccc1)NC(=O)OC(C)(C)C
Structure:
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