[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
A0A0B4WYC6 — NS3 protease
Attributes
UniProt ID
Protein Name
NS3 protease
Ligand Name
[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
PubChem ID
InChIKey
IJNUZTYJYYUXSD-SMNGPBTOSA-N
SMILES
CCC1CC(CCC=CC2CC2(NC(=O)C3CC(CN3C(=O)C1NC(=O)OC(C)(C)C(F)(F)F)Oc4c5cc(c(cc5ccn4)OC)F)C(=O)NS(=O)(=O)C6(CC6)C)C
Drug Action
No data available
Affinity Metrics
No affinity data available