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Target
Protease
Ligand
BDBM50180655
Substrate
n/a
Meas. Tech.
ChEMBL_1996599 (CHEMBL4630494)
Ki
0.061000±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:
BDBM50180655
Synonyms:
A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | Kaletra | Lopinavir | med.21724, Compound 185
Type:
Small organic molecule
Emp. Form.:
C37H48N4O5
Mol. Mass.:
628.8008
SMILES:
CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1
Structure:
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