Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50404010
Substrate
n/a
Meas. Tech.
ChEBML_36514
Ki
0.030061±n/a nM
Citation
 Katritzky, AR; Oliferenko, A; Lomaka, A; Karelson, M Six-membered cyclic ureas as HIV-1 protease inhibitors: a QSAR study based on CODESSA PRO approach. Quantitative structure-activity relationships. Bioorg Med Chem Lett 12:3453-7 (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:
BDBM50404010
Synonyms:
CHEMBL324293
Type:
Small organic molecule
Emp. Form.:
C41H38N6O4S2
Mol. Mass.:
742.908
SMILES:
O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(NC(=O)c3nccs3)c2)C(=O)N(Cc2cccc(NC(=O)c3nccs3)c2)[C@@H]1Cc1ccccc1
Structure:
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