Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50163737
Substrate
n/a
Meas. Tech.
ChEMBL_1822316 (CHEMBL4322080)
IC50
6.0±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:
BDBM50163737
Synonyms:
CHEMBL3799941
Type:
Small organic molecule
Emp. Form.:
C33H39N5O7S
Mol. Mass.:
649.757
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@H]2Cc3ccccc3[C@H]2O)nn1 |r|
Structure:
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