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Ligand · 5IV

5IV · ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl) methyl]indole-5-carboxamide

5IV, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl) methyl]indole-5-carboxamide (C27 H23 F4 N3 O3 S, 545.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
5IV
Formula
C27 H23 F4 N3 O3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

5IV in 4 structures; the first of them:

  • 7P4E · Crystal structure of PPARgamma in complex with compound FL217 · 5IV A501 · binds ILE249, GLY258, ILE281, PHE282, GLY284, CYS285, ARG288, SER289 and 13 more
  • 7P4K · Soluble epoxide hydrolase in complex with FL217 · 5IV A601 · binds PHE267, PRO268, ASP335, TRP336, MET339, THR360, PRO361, ILE363 and 15 more
  • 7P4E · Crystal structure of ppargamma in complex with compound FL217 · 5IV A501 · binds ILE249, GLY258, GLY284, CYS285, ARG288, SER289, HIS323, TYR327 and 8 more
  • 7P4K · Soluble epoxide hydrolase in complex with FL217 · 5IV A601 · binds PHE267, PRO268, ASP335, TRP336, MET339, PRO361, TYR383, GLN384 and 10 more

Residues it binds most

LEU 6, PHE 6, MET 6, TYR 6, ASP 4, HIS 6, ILE 4, PRO 4, TRP 4, SER 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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