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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50065089
Substrate
n/a
Meas. Tech.
ChEBML_36514
Ki
0.020045±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:
BDBM50065089
Synonyms:
(4R,5R,6R)-Tetrahydro-1,3-bis[(3-benzamide oxime)-methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylethyl)-2-(1H)-pyrimidinone | (4R,5R,6R)-tetrahydro-1,3-bis-](3-(N-Hydroxy-benzamidine)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone | 3-[(6-Benzyl-5-hydroxy-2-oxo-4-phenethyl-tetrahydro-pyrimidin-1-yl)bis-(methyl-N-hydroxy-benzamidine)] | 3-[4-benzyl-3-(3-carbamoylbenzyl)-5-hydroxy-2-oxo-6-phenethyl-(4R,5R,6R)-hexahydro-1-pyrimidinylmethyl]N-hydroxy-benzamidine | CHEMBL284942 | Tetrahydropyrimidinone derivative
Type:
Small organic molecule
Emp. Form.:
C35H38N6O4
Mol. Mass.:
606.714
SMILES:
ONC(=N)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1
Structure:
Search PDB for entries with ligand similarity: