Induced-fit binding of the macrocyclic noncovalent inhibitor TMC435 to its HCV NS3/NS4A protease target.
Cummings
Maxwell D
MD
Tibotec BVBA, Gen De Wittelaan L 11B 3, 2800 Mechelen, Belgium. mcummin1@its.jnj.com
Lindberg
Jimmy
J
Lin
Tse-I
TI
de Kock
Herman
H
Lenz
Oliver
O
Lilja
Elisabet
E
Felländer
Sara
S
Baraznenok
Vera
V
Nyström
Susanne
S
Nilsson
Magnus
M
Vrang
Lotta
L
Edlund
Michael
M
Rosenquist
Asa
A
Samuelsson
Bertil
B
Raboisson
Pierre
P
Simmen
Kenneth
K
D001665:Binding Sites; D002352:Carrier Proteins / Q000037:antagonists & inhibitors* / Q000378:metabolism; D018360:Crystallography, X-Ray; D015195:Drug Design; D006575:Heterocyclic Compounds, 3-Ring / Q000737:chemistry* / Q000494:pharmacology; D006801:Humans; D047908:Intracellular Signaling Peptides and Proteins; D047028:Macrocyclic Compounds / Q000737:chemistry*; D011480:Protease Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D011485:Protein Binding; D000069616:Simeprevir; D013449:Sulfonamides / Q000737:chemistry* / Q000494:pharmacology; D017361:Viral Nonstructural Proteins / Q000037:antagonists & inhibitors* / Q000378:metabolism; D014764:Viral Proteins / Q000037:antagonists & inhibitors* / Q000378:metabolism; D012697:Serine Endopeptidases; D043583:Nucleoside-Triphosphatase; D053487:DEAD-box RNA Helicases; D000085242:Viral Proteases
D002352:Carrier Proteins; D006575:Heterocyclic Compounds, 3-Ring; D047908:Intracellular Signaling Peptides and Proteins; D047028:Macrocyclic Compounds; D011480:Protease Inhibitors; D000069616:Simeprevir; D013449:Sulfonamides; D017361:Viral Nonstructural Proteins; D014764:Viral Proteins; C084422:NS3 protein, hepatitis C virus; D012697:Serine Endopeptidases; D043583:Nucleoside-Triphosphatase; D053487:DEAD-box RNA Helicases; D000085242:Viral Proteases; C455041:NS4A cofactor peptide, Hepatitis C virus