Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50496362
Substrate
n/a
Meas. Tech.
ChEMBL_1298586 (CHEMBL3132373)
IC50
1900±n/a nM
Citation
 Parra, A; Martin-Fonseca, S; Rivas, F; Reyes-Zurita, FJ; Medina-O'Donnell, M; Martinez, A; Garcia-Granados, A; Lupiaņez, JA; Albericio, F Semi-synthesis of acylated triterpenes from olive-oil industry wastes for the development of anticancer and anti-HIV agents. Eur J Med Chem 74:278-301 (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:
BDBM50496362
Synonyms:
CHEMBL3126461
Type:
Small organic molecule
Emp. Form.:
C53H62O10
Mol. Mass.:
859.0534
SMILES:
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](OC(=O)c4ccccc4C(O)=O)[C@H](OC(=O)c4ccccc4C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15|
Structure:
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