Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50469417
Substrate
n/a
Meas. Tech.
ChEMBL_1804115 (CHEMBL4276407)
Ki
0.001200±n/a nM
Citation
 Ghosh, AK; Williams, JN; Ho, RY; Simpson, HM; Hattori, SI; Hayashi, H; Agniswamy, J; Wang, YF; Weber, IT; Mitsuya, H Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies. J Med Chem 61:9722-9737 (2018) [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:
BDBM50469417
Synonyms:
CHEMBL4293023
Type:
Small organic molecule
Emp. Form.:
C28H37N3O8S
Mol. Mass.:
575.674
SMILES:
[H][C@]12C[C@H](C[C@@]1([H])OC(=O)N2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Structure:
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