Target
Protease
Ligand
BDBM50497088
Substrate
n/a
Meas. Tech.
ChEMBL_1349799 (CHEMBL3268000)
IC50
160±n/a nM
Citation
 Qiu, XZhao, GDTang, LQLiu, ZP Design and synthesis of highly potent HIV-1 protease inhibitors with novel isosorbide-derived P2 ligands. Bioorg Med Chem Lett 24:2465-8 (2014) [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:
BDBM50497088
Synonyms:
CHEMBL3263089
Type:
Small organic molecule
Emp. Form.:
C28H37N3O11S
Mol. Mass.:
623.672
SMILES:
[H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Structure:
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