Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50288359
Substrate
n/a
Meas. Tech.
ChEMBL_1729858 (CHEMBL4145136)
EC50
61±n/a nM
Citation
 Hidaka, K; Kimura, T; Sankaranarayanan, R; Wang, J; McDaniel, KF; Kempf, DJ; Kameoka, M; Adachi, M; Kuroki, R; Nguyen, JT; Hayashi, Y; Kiso, Y Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine. J Med Chem 61:5138-5153 (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:
BDBM50288359
Synonyms:
CHEMBL4164025
Type:
Small organic molecule
Emp. Form.:
C38H43N5O7S
Mol. Mass.:
713.842
SMILES:
Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cc2ccccc2o1 |r|
Structure:
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