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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50404005
Substrate
n/a
Meas. Tech.
ChEMBL_158035 (CHEMBL768259)
Ki
0.079433±n/a nM
Citation
 Nair, AC; Jayatilleke, P; Wang, X; Miertus, S; Welsh, WJ Computational studies on tetrahydropyrimidine-2-one HIV-1 protease inhibitors: improving three-dimensional quantitative structure-activity relationship comparative molecular field analysis models by inclusion of calculated inhibitor- and receptor-based properties. J Med Chem 45:973-83 (2002) [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:
BDBM50404005
Synonyms:
CHEMBL113884
Type:
Small organic molecule
Emp. Form.:
C47H46N6O4
Mol. Mass.:
758.9059
SMILES:
Cc1ccc(nc1)C(=O)Nc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(NC(=O)c4ccc(C)cn4)c3)C2=O)c1
Structure:
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