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Target
Protease
Ligand
BDBM50477640
Substrate
n/a
Meas. Tech.
ChEMBL_457204 (CHEMBL940805)
IC50
0.100000±n/a nM
Citation
 Raghavan, S; Lu, Z; Beeson, T; Chapman, KT; Schleif, WA; Olsen, DB; Stahlhut, M; Rutkowski, CA; Gabryelski, L; Emini, E; Tata, JR Synthesis of novel HIV protease inhibitors (PI) with activity against PI-resistant virus. Bioorg Med Chem Lett 17:5432-6 (2007) [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:
BDBM50477640
Synonyms:
CHEMBL247616
Type:
Small organic molecule
Emp. Form.:
C35H42N4O7S
Mol. Mass.:
662.796
SMILES:
Cc1nsc(C)c1CNC(=O)[C@H]1N(COC11CCCC1)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12
Structure:
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