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Ligand · 865

865 · 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid

865, 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid (C37 H36 N6 O4, 628.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2…

Component
865
Formula
C37 H36 N6 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

865 in 4 structures; the first of them:

  • 4WMR · STRUCTURE OF MCL1 BOUND TO BRD inhibitor ligand 1 AT 1.7A · 865 A404 · binds HIS224, ALA227, PHE228, MET231, LEU235, LEU246, VAL249, MET250 and 10 more
  • 4WMT · STRUCTURE OF MBP-MCL1 BOUND TO ligand 1 AT 2.35A · 865 A402 · binds HIS224, ALA227, PHE228, MET231, LEU235, LEU246, VAL249, MET250 and 10 more
  • 4WMR · Structure of MCL1 bound to brd inhibitor ligand 1 at 1.7A · 865 A404 · binds HIS224, ALA227, PHE228, MET231, LEU235, LEU246, VAL249, MET250 and 10 more
  • 4WMT · Structure of mbp-MCL1 bound to ligand 1 at 2.35A · 865 A402 · binds HIS224, ALA227, PHE228, MET231, LEU235, LEU246, VAL249, MET250 and 10 more

Residues it binds most

LEU 4, PHE 4, VAL 4, MET 4, ALA 4, ARG 4, GLY 4, HIS 4, ILE 4, THR 4 (residue and the binding sites it lines).

Found with

  • POP · Pyrophosphate 2-
  • ZN · Zinc ion
  • GLC · alpha-D-glucopyranose
  • EDO · 1,2-ethanediol
  • FMT · Formic acid

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