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Ligand · JT1

JT1 · (2R)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide

JT1, (2R)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide (C28 H23 F7 N6 O4 S2, 704.6 g/mol), in the MolNFT structures on…

Component
JT1
Formula
C28 H23 F7 N6 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JT1 in 2 structures; the first of them:

  • 3VQS · Crystal structure of HCV NS5B RNA polymerase with a novel piperazine inhibitor · JT1 A1000 · binds VAL179, TYR191, GLY192, PHE193, TYR195, SER196, PRO197, ARG200 and 18 more
  • 3VQS · Crystal structure of HCV NS5B RNA polymerase with a novel piperazine inhibitor · JT1 A1000 · binds VAL179, TYR191, GLY192, PHE193, TYR195, SER196, PRO197, ARG200 and 18 more

Residues it binds most

TYR 8, ILE 8, SER 8, LEU 8, CYS 8, PHE 8, ALA 8, ARG 8, ASN 8, GLY 8 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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