Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM50498531
Substrate
n/a
Meas. Tech.
ChEMBL_1511389 (CHEMBL3606514)
Ki
0.012000±n/a nM
Citation
 Ghosh, AK; Martyr, CD; Osswald, HL; Sheri, VR; Kassekert, LA; Chen, S; Agniswamy, J; Wang, YF; Hayashi, H; Aoki, M; Weber, IT; Mitsuya, H Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies. J Med Chem 58:6994-7006 (2015) [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:
BDBM50498531
Synonyms:
CHEMBL3605642
Type:
Small organic molecule
Emp. Form.:
C34H49N3O10S
Mol. Mass.:
691.832
SMILES:
[H][C@@]12OC[C@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)[C@]1([H])[C@H](CO2)N(C)C(=O)OC(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity: