Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50046941
Substrate
n/a
Meas. Tech.
ChEMBL_157562 (CHEMBL763314)
Ki
10±n/a nM
Citation
 Thaisrivongs, STurner, SRStrohbach, JWTenBrink, RETarpley, WGMcQuade, TJHeinrikson, RLTomasselli, AGHui, JOHowe, WJ Inhibitors of the protease from human immunodeficiency virus: synthesis, enzyme inhibition, and antiviral activity of a series of compounds containing the dihydroxyethylene transition-state isostere. J Med Chem 36:941-52 (1993) [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:
BDBM50046941
Synonyms:
CHEMBL175393 | N-(4-{1-[(1H-Benzoimidazol-2-ylmethyl)-carbamoyl]-2-methyl-butylcarbamoyl}-1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-2-[2-(2-methoxy-ethoxy)-ethoxy]-benzamide
Type:
Small organic molecule
Emp. Form.:
C43H65N5O9
Mol. Mass.:
796.0043
SMILES:
CCC(C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)C(CC1CCCCC1)NC(=O)c1ccccc1OCCOCCOCCOC)C(=O)NCc1nc2ccccc2[nH]1
Structure:
Search PDB for entries with ligand similarity: