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Ligand · N7B

N7B · ~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl) indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide

N7B, ~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl) indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide (C31 H29 N7 O3, 547.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
N7B
Formula
C31 H29 N7 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

N7B in 2 structures; the first of them:

  • 6TFZ · Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 19 · N7B A1101 · binds LEU718, GLY719, SER720, PHE723, VAL726, ALA743, LYS745, MET766 and 18 more
  • 6TFZ · Crystal structure of EGFR T790M/V948R in complex with covalent pyrrolopyrimidine 19 · N7B A1101 · binds LEU718, GLY719, SER720, PHE723, VAL726, ALA743, LYS745, MET766 and 17 more

Residues it binds most

LEU 4, MET 4, GLY 4, ASP 4, CYS 4, ARG 4, ALA 4, PHE 4, GLN 4, LYS 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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