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Target
Protease
Ligand
BDBM50480920
Substrate
n/a
Meas. Tech.
ChEMBL_593566 (CHEMBL1036996)
Ki
0.600000±n/a nM
Citation
 Adrian Meredith, J; Wallberg, H; Vrang, L; Oscarson, S; Parkes, K; Hallberg, A; Samuelsson, B Design and synthesis of novel P2 substituents in diol-based HIV protease inhibitors. Eur J Med Chem 45:160-70 (2010) [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:
BDBM50480920
Synonyms:
CHEMBL367384
Type:
Small organic molecule
Emp. Form.:
C38H40N2O8
Mol. Mass.:
652.7328
SMILES:
O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Structure:
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