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Target
Protease
Ligand
BDBM50481587
Substrate
n/a
Meas. Tech.
ChEMBL_610130 (CHEMBL1074495)
Ki
0.780000±n/a nM
Citation
 Ghosh, AK; Gemma, S; Simoni, E; Baldridge, A; Walters, DE; Ide, K; Tojo, Y; Koh, Y; Amano, M; Mitsuya, H Synthesis and biological evaluation of novel allophenylnorstatine-based HIV-1 protease inhibitors incorporating high affinity P2-ligands. Bioorg Med Chem Lett 20:1241-6 (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:
BDBM50481587
Synonyms:
CHEMBL599785
Type:
Small organic molecule
Emp. Form.:
C30H39N3O7S
Mol. Mass.:
585.712
SMILES:
Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOCOC1 |r|
Structure:
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