GL1X · GenesisL1 explorer

Ligand · 1KQ

1KQ · 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

1KQ, 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (C29 H32 N6 O S, 512.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
1KQ
Formula
C29 H32 N6 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1KQ in 2 structures; the first of them:

  • 7F83 · Crystal Structure of a receptor in Complex with inverse agonist · 1KQ A1203 · binds CYS95, LEU98, ASP99, VAL101, ARG102, TRP109, GLY112, LEU115 and 14 more
  • 7F83 · Crystal structure of a receptor in complex with inverse agonist · 1KQ A1203 · binds CYS95, LEU98, ASP99, ARG102, GLY112, LEU115, CYS116, PHE119 and 11 more

Residues it binds most

PHE 4, CYS 4, SER 4, LEU 4, TRP 4, GLN 4, ARG 4, ASP 4, GLY 4, THR 4 (residue and the binding sites it lines).

Found with

  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

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