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Target
Protease
Ligand
BDBM50478110
Substrate
n/a
Meas. Tech.
ChEMBL_469364 (CHEMBL933047)
Ki
3.3±n/a nM
Citation
 Wu, X; Ohrngren, P; Ekegren, JK; Unge, J; Unge, T; Wallberg, H; Samuelsson, B; Hallberg, A; Larhed, M Two-carbon-elongated HIV-1 protease inhibitors with a tertiary-alcohol-containing transition-state mimic. J Med Chem 51:1053-7 (2008) [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:
BDBM50478110
Synonyms:
CHEMBL259895
Type:
Small organic molecule
Emp. Form.:
C36H45BrN4O6
Mol. Mass.:
709.67
SMILES:
COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)Cc1ccc(Br)cc1)C(C)(C)C |r|
Structure:
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