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Target
Protease
Ligand
BDBM50545793
Substrate
n/a
Meas. Tech.
ChEMBL_1996599 (CHEMBL4630494)
Ki
1.7±n/a nM
Citation
 Rusere, LN; Lockbaum, GJ; Henes, M; Lee, SK; Spielvogel, E; Rao, DN; Kosovrasti, K; Nalivaika, EA; Swanstrom, R; Kurt Yilmaz, N; Schiffer, CA; Ali, A Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J Med Chem 63:8296-8313 (2020) [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:
BDBM50545793
Synonyms:
CHEMBL4646603
Type:
Small organic molecule
Emp. Form.:
C32H41N3O8
Mol. Mass.:
595.6832
SMILES:
[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C1CC1)Cc1ccccc1 |r|
Structure:
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