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Ligand · 2R9

2R9 · N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide

2R9, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide (C35 H46 Cl N5 O9 S, 748.3 g/mol), in the MolNFT structures on…

Component
2R9
Formula
C35 H46 Cl N5 O9 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

2R9 in 1 structure; the first of them:

  • 5EQS · Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with… · 2R9 A1201 · binds GLN1041, THR1042, PHE1043, TYR1056, HIS1057, GLY1058, VAL1078, ASP1079 and 13 more

Residues it binds most

ALA 1, ASP 1, GLN 1, GLY 1, LEU 1, PHE 1, SER 1, VAL 1, ARG 1, HIS 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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