Reaction Details  Report a problem with these data
Target
Protease
Ligand
BDBM50346701
Substrate
n/a
Meas. Tech.
ChEMBL_1298586 (CHEMBL3132373)
IC50
31200±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:
BDBM50346701
Synonyms:
CHEMBL1797017
Type:
Small organic molecule
Emp. Form.:
C38H60O6
Mol. Mass.:
612.8794
SMILES:
CCCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)(C)[C@H]1OC(=O)CCC |r,t:18|
Structure:
Search PDB for entries with ligand similarity: