GL1X · GenesisL1 explorer

Ligand · TK9

TK9 · (2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl) phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid

TK9, (2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl) phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid (C21 H22 F3 N O4, 409.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
TK9
Formula
C21 H22 F3 N O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

TK9 in 4 structures; the first of them:

  • 7A7G · Soluble epoxide hydrolase in complex with TK90 · TK9 A601 · binds PHE267, PRO268, ASP335, TRP336, MET339, TYR383, GLN384, LEU408 and 7 more
  • 7A7H · Crystal structure of PPARgamma in complex with compound TK90 · TK9 A501 · binds ILE281, PHE282, GLY284, CYS285, GLN286, ARG288, SER289, HIS323 and 13 more
  • 7A7G · Soluble epoxide hydrolase in complex with TK90 · TK9 A601 · binds PHE267, PRO268, ASP335, TRP336, MET339, TYR383, GLN384, LEU408 and 7 more
  • 7A7H · Crystal structure of ppargamma in complex with compound TK90 · TK9 A501 · binds ILE281, PHE282, GLY284, CYS285, ARG288, SER289, HIS323, ILE326 and 12 more

Residues it binds most

LEU 6, MET 6, TYR 6, PHE 6, HIS 6, TRP 4, ILE 2, VAL 6, GLN 5, ASP 4 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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