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Ligand · JRT

JRT · 2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide

JRT, 2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide (C17 H17 N3 O, 279.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
JRT
Formula
C17 H17 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

JRT in 2 structures; the first of them:

  • 6R4A · Aurora-A in complex with shape-diverse fragment 55 · JRT A510 · binds GLU175, LEU178, ARG179, VAL182, GLU183, TYR199, HIS201, VAL206
  • 6R4A · Aurora-a in complex with shape-diverse fragment 55 · JRT A510 · binds LEU178, ARG179, GLU183, TYR199, HIS201

Residues it binds most

GLU 2, ARG 2, HIS 2, LEU 2, TYR 2, VAL 1 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • MG · Magnesium ion
  • CL · Chloride ion
  • GOL · Glycerol

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