Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM171372
Substrate
n/a
Meas. Tech.
ChEMBL_1523253 (CHEMBL3632388)
Ki
0.210000±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:
BDBM171372
Synonyms:
US9085571, Table 1, Compound 20
Type:
Small organic molecule
Emp. Form.:
C37H46N4O7S
Mol. Mass.:
690.849
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N(C)Cc1nc(C)oc1C |r|
Structure:
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