Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50046926
Substrate
n/a
Meas. Tech.
ChEMBL_157562 (CHEMBL763314)
Ki
600±n/a nM
Citation
 Thaisrivongs, S; Turner, SR; Strohbach, JW; TenBrink, RE; Tarpley, WG; McQuade, TJ; Heinrikson, RL; Tomasselli, AG; Hui, JO; Howe, 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:
BDBM50046926
Synonyms:
CHEMBL176304 | 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.:
C37H47N3O6S
Mol. Mass.:
661.851
SMILES:
CC(C)[C@H]([C@@H](O)[C@H](O)C(CC1CCCCC1)NC(=O)c1ncccc1OCSc1ccccc1)C(=O)N[C@@H]1C(O)Cc2ccccc12
Structure:
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