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Ligand · J5Y

J5Y · Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide

J5Y, Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide (C34 H32 Cl F N6 O2, 611.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
J5Y
Formula
C34 H32 Cl F N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

J5Y in 2 structures; the first of them:

  • 4UVR · Binding mode, selectivity and potency of N-indolyl-oxopyridinyl-4- amino-propanyl-based… · J5Y A1477 · binds ILE45, PHE48, ILE72, VAL77, TYR103, ILE105, MET106, PHE110 and 14 more
  • 4UVR · Binding mode, selectivity and potency of N-indolyl- oxopyridinyl-4-amino-propanyl-based… · J5Y A1477 · binds ILE45, PHE48, ILE72, VAL77, TYR103, ILE105, MET106, PHE110 and 14 more

Residues it binds most

MET 2, PHE 2, ILE 2, VAL 2, ALA 2, TYR 2, CYS 2, LEU 2, PRO 2, THR 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion

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