Reaction Details Report a problem with these data
Target
HIV-1 protease
Ligand
BDBM468562
Substrate
n/a
Meas. Tech.
Enzyme Inhibition of Purified HIV-1 Protease
IC50
0.475±n/a nM
Citation
 Jude-Fishburn, CS; VanderVeen, LA; Riley, TA Protease inhibitors having enhanced features US Patent  US10806794 Publication Date 10/20/2020 
Target
Name:
HIV-1 protease
Synonyms:
HIV-1 protease wild type
Type:
Protein
Mol. Mass.:
10757.68
Organism:
Human immunodeficiency virus
Description:
O90785
Residue:
99
Sequence:
PQITLWQRPLVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVKQYEQVLIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNF
  
Inhibitor
Name:
BDBM468562
Synonyms:
US10806794, Compound mPEG3-O-Darunavir
Type:
Small organic molecule
Emp. Form.:
C34H51N3O11S
Mol. Mass.:
709.847
SMILES:
COCCOCCOCCOc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1 |r|
Structure:
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