Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50498229
Substrate
n/a
Meas. Tech.
ChEMBL_1496710 (CHEMBL3579413)
Ki
0.006±n/a nM
Citation
 Agniswamy, J; Louis, JM; Shen, CH; Yashchuk, S; Ghosh, AK; Weber, IT Substituted Bis-THF Protease Inhibitors with Improved Potency against Highly Resistant Mature HIV-1 Protease PR20. J Med Chem 58:5088-95 (2015) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus 1 (HIV-1)
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50498229
Synonyms:
CHEMBL3577575
Type:
Small organic molecule
Emp. Form.:
C27H35F2N3O7S
Mol. Mass.:
583.645
SMILES:
[H][C@@]12OC[C@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)[C@]1([H])C(F)(F)CO2 |r|
Structure:
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