Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM1141
Substrate
n/a
Meas. Tech.
ChEBML_36514
Ki
0.480839±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:
BDBM1141
Synonyms:
(4R,5R,6R)-Tetrahydro-1-(3-(N-hydroxycarboximidamide)phenylmethyl)-3-cyclopropylmethyl-6-phenylmethyl-5-hydroxy-4-(2-phenylethyl)-2(1H)-pyrimidinone | 3-{[(4R,5R,6R)-6-benzyl-3-(cyclopropylmethyl)-5-hydroxy-2-oxo-4-(2-phenylethyl)-1,3-diazinan-1-yl]methyl}-N'-hydroxybenzene-1-carboximidamide | Tetrahydropyrimidinone deriv. 43
Type:
Small organic molecule
Emp. Form.:
C31H36N4O3
Mol. Mass.:
512.6425
SMILES:
ONC(=N)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)N(CC3CC3)C2=O)c1 |r|
Structure:
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