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Target
Protease
Ligand
BDBM50509314
Substrate
n/a
Meas. Tech.
ChEMBL_1837839 (CHEMBL4337972)
IC50
2300±n/a nM
Citation
 Medina-O'Donnell, M; Rivas, F; Reyes-Zurita, FJ; Cano-Muņoz, M; Martinez, A; Lupiaņez, JA; Parra, A Oleanolic Acid Derivatives as Potential Inhibitors of HIV-1 Protease. J Nat Prod 82:2886-2896 (2019) [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:
BDBM50509314
Synonyms:
CHEMBL4542116
Type:
Small organic molecule
Emp. Form.:
C51H76N2O8
Mol. Mass.:
845.1577
SMILES:
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)c4ccccc4C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCCCCCCCCCC(=O)NCC(O)=O |r,t:15|
Structure:
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