Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM171362
Substrate
n/a
Meas. Tech.
ChEMBL_1523253 (CHEMBL3632388)
Ki
158±n/a nM
Citation
 Ghosh, AK; Takayama, J; Kassekert, LA; Ella-Menye, JR; Yashchuk, S; Agniswamy, J; Wang, YF; Aoki, M; Amano, M; Weber, IT; Mitsuya, H Structure-based design, synthesis, X-ray studies, and biological evaluation of novel HIV-1 protease inhibitors containing isophthalamide-derived P2-ligands. Bioorg Med Chem Lett 25:4903-4909 (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:
BDBM171362
Synonyms:
US9085571, Table 1, Compound 10
Type:
Small organic molecule
Emp. Form.:
C34H46N4O6S
Mol. Mass.:
638.817
SMILES:
CCCN(C)C(=O)c1cc(NC)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Structure:
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