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Ligand · J4R

J4R · 1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1H-pyrrol-3-yl]ethanone

J4R, 1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1H-pyrrol-3-yl]ethanone (C23 H27 N7 O, 417.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
J4R
Formula
C23 H27 N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

J4R in 2 structures; the first of them:

  • 7EIK · RD4-BD1 in complex with LT-872-297 · J4R A201 · binds TRP39, PRO40, PHE41, GLN43, VAL45, LEU50, LEU52, TYR55 and 4 more
  • 7EIK · RD4-BD1 in complex with lt-872-297 · J4R A201 · binds TRP39, PRO40, PHE41, GLN43, VAL45, LEU50, LEU52, TYR55 and 4 more

Residues it binds most

LEU 2, TYR 2, ASN 2, CYS 2, GLN 2, ILE 2, PHE 2, PRO 2, TRP 2, VAL 2 (residue and the binding sites it lines).

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