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Ligand · JR0

JR0 · N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide

JR0, N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide (C34 H39 N7 O5, 625.7 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component
JR0
Formula
C34 H39 N7 O5
Class
ligand
Structures
1
PDB entries
1

Binding sites

JR0 in 1 structure; the first of them:

  • 8TQG · Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419 · JR0 A1801 · binds SER1533, LEU1534, VAL1537, ALA1561, VAL1562, ARG1563, ARG1578, TRP1579 and 20 more

Residues it binds most

TYR 1, ALA 1, ARG 1, ASP 1, GLY 1, ILE 1, PHE 1, SER 1, TRP 1, VAL 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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