Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50482333
Substrate
n/a
Meas. Tech.
ChEMBL_639812 (CHEMBL1175757)
IC50
0.100000±n/a nM
Citation
 Jones, KL; Holloway, MK; Su, HP; Carroll, SS; Burlein, C; Touch, S; DiStefano, DJ; Sanchez, RI; Williams, TM; Vacca, JP; Coburn, CA Epsilon substituted lysinol derivatives as HIV-1 protease inhibitors. Bioorg Med Chem Lett 20:4065-8 (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:
BDBM50482333
Synonyms:
CHEMBL1170707
Type:
Small organic molecule
Emp. Form.:
C37H52N4O6S
Mol. Mass.:
680.897
SMILES:
CCC[C@@H](CCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)NC(=O)[C@@H](NC(=O)OC)C(c1ccccc1)c1ccccc1 |r|
Structure:
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