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Ligand · R1W

R1W · ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl) phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide

R1W, ~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl) phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide (C28 H30 Cl N5 O, 488.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
R1W
Formula
C28 H30 Cl N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

R1W in 2 structures; the first of them:

  • 7A6I · Crystal Structure of EGFR-T790M/V948R in Complex with LDC8201 · R1W A1105 · binds LEU718, GLY719, SER720, PHE723, VAL726, ALA743, MET790, GLN791 and 10 more
  • 7A6I · Crystal structure of EGFR-T790M/V948R in complex with LDC8201 · R1W A1105 · binds LEU718, GLY719, SER720, PHE723, VAL726, ALA743, MET790, GLN791 and 10 more

Residues it binds most

LEU 2, GLY 2, MET 2, PHE 2, ALA 2, ARG 2, ASP 2, CYS 2, GLN 2, GLU 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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