GL1X · GenesisL1 explorer

Ligand · EMQ

EMQ · 1-[2-(dimethylamino)ethyl]-3-{[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl}urea

EMQ, 1-[2-(dimethylamino)ethyl]-3-{[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl}urea (C25 H31 F3 N4 O2, 476.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
EMQ
Formula
C25 H31 F3 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

EMQ in 2 structures; the first of them:

  • 3L9H · X-ray structure of mitotic kinesin-5 (KSP, KIF11, Eg5)in complex with the… · EMQ A601 · binds GLU116, GLY117, GLU118, ARG119, TRP127, ALA133, ILE136, PRO137 and 10 more
  • 3L9H · X-ray structure of mitotic kinesin-5 (ksp, KIF11, EG5)IN complex with the… · EMQ A601 · binds GLU116, GLY117, GLU118, ARG119, TRP127, ALA133, ILE136, PRO137 and 10 more

Residues it binds most

ALA 4, GLU 4, LEU 4, ARG 4, GLY 4, ILE 4, PHE 4, PRO 4, TRP 4, TYR 4 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate

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