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Ligand · KQQ

KQQ · 3-[(2-{[1-(N,N-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide

KQQ, 3-[(2-{[1-(N,N-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide (C27 H32 N8 O3 S, 548.7 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
KQQ
Formula
C27 H32 N8 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

KQQ in 2 structures; the first of them:

  • 4PNI · Bovine G protein-coupled receptor kinase 1 in complex with GSK2163632A · KQQ A601 · binds LEU193, GLY194, PHE198, VAL201, ALA214, LYS216, VAL248, MET264 and 12 more
  • 4PNI · Bovine G protein-coupled receptor kinase 1 in complex with GSK2163632A · KQQ A601 · binds LEU193, GLY194, PHE198, VAL201, ALA214, LYS216, VAL248, MET264 and 12 more

Residues it binds most

ALA 2, GLY 2, LEU 2, MET 2, THR 2, VAL 2, ARG 2, ASN 2, ASP 2, GLU 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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