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Ligand · QWQ

QWQ · 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine

QWQ, 4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine (C26 H30 N2 O3, 418.5 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…

Component
QWQ
Formula
C26 H30 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

QWQ in 2 structures; the first of them:

  • 7A21 · Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158 · QWQ A501 · binds VAL214, VAL222, ALA233, VAL234, LYS235, GLU248, LEU263, LEU281 and 15 more
  • 7A21 · Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2158 · QWQ A501 · binds VAL214, VAL222, ALA233, VAL234, LYS235, GLU248, LEU263, LEU281 and 14 more

Residues it binds most

LEU 4, VAL 4, ALA 4, ASP 4, GLU 4, HIS 4, LYS 4, ASN 4, GLY 4, MET 4 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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