Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50505279
Substrate
n/a
Meas. Tech.
ChEMBL_1822337 (CHEMBL4322101)
Ki
0.001±n/a nM
Citation
 Wu, G; Zhao, T; Kang, D; Zhang, J; Song, Y; Namasivayam, V; Kongsted, J; Pannecouque, C; De Clercq, E; Poongavanam, V; Liu, X; Zhan, P Overview of Recent Strategic Advances in Medicinal Chemistry. J Med Chem 62:9375-9414 (2019) [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:
BDBM50505279
Synonyms:
CHEMBL4436207
Type:
Small organic molecule
Emp. Form.:
C27H37BN2O9S
Mol. Mass.:
576.467
SMILES:
[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(cc1)B(O)O |r|
Structure:
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