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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50037124
Substrate
n/a
Meas. Tech.
ChEMBL_157870 (CHEMBL879227)
Ki
0.7±n/a nM
Citation
 Thompson, SK; Murthy, KH; Zhao, B; Winborne, E; Green, DW; Fisher, SM; DesJarlais, RL; Tomaszek, TA; Meek, TD; Gleason, 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:
BDBM50037124
Synonyms:
(R)-2-{(R)-2-[(S)-4-((S)-2-Benzyloxycarbonylamino-propionylamino)-2-hydroxy-3-oxo-5-phenyl-pentylamino]-3-phenyl-propionylamino}-3-methyl-butyric acid | CHEMBL321654
Type:
Small organic molecule
Emp. Form.:
C36H44N4O8
Mol. Mass.:
660.7566
SMILES:
CC(C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NCC(O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(O)=O
Structure:
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