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Target
Protease
Ligand
BDBM50484847
Substrate
n/a
Meas. Tech.
ChEMBL_807142 (CHEMBL1959806)
Ki
0.004±n/a nM
Citation
 Ghosh, AK; Chapsal, BD; Steffey, M; Agniswamy, J; Wang, YF; Amano, M; Weber, IT; Mitsuya, H Substituent effects on P2-cyclopentyltetrahydrofuranyl urethanes: design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors. Bioorg Med Chem Lett 22:2308-11 (2012) [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:
BDBM50484847
Synonyms:
CHEMBL1958483 | GRL-0289A
Type:
Small organic molecule
Emp. Form.:
C31H43N3O9S
Mol. Mass.:
633.753
SMILES:
[H][C@@]12C[C@@H](C[C@]1([H])[C@H](CO2)NC(=O)OC)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
Structure:
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