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Target
Protease
Ligand
BDBM50088504
Substrate
n/a
Meas. Tech.
ChEMBL_950884 (CHEMBL2349708)
IC50
9850±n/a nM
Citation
 Olomola, TO; Klein, R; Mautsa, N; Sayed, Y; Kaye, PT Synthesis and evaluation of coumarin derivatives as potential dual-action HIV-1 protease and reverse transcriptase inhibitors. Bioorg Med Chem 21:1964-71 (2013) [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:
BDBM50088504
Synonyms:
A-84538 | ABBOTT-84538 | CHEBI:45409 | Norvir | Ritonavir
Type:
Small organic molecule
Emp. Form.:
C37H48N6O5S2
Mol. Mass.:
720.944
SMILES:
CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r|
Structure:
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