Reaction Details  Report a problem with these data
Target
Protease
Ligand
BDBM50175892
Substrate
n/a
Meas. Tech.
ChEMBL_1298586 (CHEMBL3132373)
IC50
62700±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:
BDBM50175892
Synonyms:
2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2alpha,3beta-dihydroxy-olean-12-en-28-oic acid | CHEMBL201515 | Maslinic acid | Maslinicacid
Type:
Small organic molecule
Emp. Form.:
C30H48O4
Mol. Mass.:
472.6997
SMILES:
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Structure:
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