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Target
Protease
Ligand
BDBM50483620
Substrate
n/a
Meas. Tech.
ChEMBL_741066 (CHEMBL1764294)
IC50
78±n/a nM
Citation
 Makatini, MM; Petzold, K; Sriharsha, SN; Soliman, ME; Honarparvar, B; Arvidsson, PI; Sayed, Y; Govender, P; Maguire, GE; Kruger, HG; Govender, T Pentacycloundecane-based inhibitors of wild-type C-South African HIV-protease. Bioorg Med Chem Lett 21:2274-7 (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:
BDBM50483620
Synonyms:
CHEMBL1761675
Type:
Small organic molecule
Emp. Form.:
C29H42N6O9
Mol. Mass.:
618.6786
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:35:36:43.42:40,38:37:43.42:40|
Structure:
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