Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50484191
Substrate
n/a
Meas. Tech.
ChEMBL_763964 (CHEMBL1820047)
Ki
0.006000±n/a nM
Citation
 Ghosh, AK; Chapsal, BD; Parham, GL; Steffey, M; Agniswamy, J; Wang, YF; Amano, M; Weber, IT; Mitsuya, H Design of HIV-1 protease inhibitors with C3-substituted hexahydrocyclopentafuranyl urethanes as P2-ligands: synthesis, biological evaluation, and protein-ligand X-ray crystal structure. J Med Chem 54:5890-901 (2011) [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:
BDBM50484191
Synonyms:
CHEMBL1819295
Type:
Small organic molecule
Emp. Form.:
C30H42N2O8S
Mol. Mass.:
590.728
SMILES:
[H][C@@]12C[C@@H](C[C@]1([H])[C@H](CO2)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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