Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50037123
Substrate
n/a
Meas. Tech.
ChEMBL_157870 (CHEMBL879227)
Ki
270±n/a nM
Citation
 Thompson, SKMurthy, KHZhao, BWinborne, EGreen, DWFisher, SMDesJarlais, RLTomaszek, TAMeek, TDGleason, JG Rational design, synthesis, and crystallographic analysis of a hydroxyethylene-based HIV-1 protease inhibitor containing a heterocyclic P1'--P2' amide bond isostere. J Med Chem 37:3100-7 (1994) [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:
BDBM50037123
Synonyms:
CHEMBL108226 | {(1S,2S,4R)-1-Benzyl-4-[5-(2,2-dimethyl-but-3-enoyl)-1H-imidazol-2-yl]-2-hydroxy-5-phenyl-pentyl}-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C32H41N3O4
Mol. Mass.:
531.6856
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc([nH]1)C(=O)C(C)(C)C=C
Structure:
Search PDB for entries with ligand similarity: