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Ligand · AWR

AWR · 4-(7-METHOXY-1-(TRIFLUOROMETHYL)-9H-PYRIDO[3,4-B]INDOL-9-yl)butan-1-amine

AWR, 4-(7-METHOXY-1-(TRIFLUOROMETHYL)-9H-PYRIDO[3,4-B]INDOL-9-yl)butan-1-amine (C17 H18 F3 N3 O, 337.4 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…

Component
AWR
Formula
C17 H18 F3 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

AWR in 2 structures; the first of them:

  • 5AIK · Human DYRK1A in complex with LDN-211898 · AWR A900 · binds ILE165, GLY166, PHE170, VAL173, ALA186, LYS188, GLU203, VAL222 and 8 more
  • 5AIK · Human DYRK1A in complex with ldn-211898 · AWR A900 · binds ILE165, GLY166, PHE170, VAL173, ALA186, LYS188, GLU203, VAL222 and 8 more

Residues it binds most

VAL 8, GLU 8, LEU 8, PHE 8, LYS 8, ALA 8, ASP 8, GLY 8, ILE 8, MET 8 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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