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Ligand · F6I

F6I · (4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl) benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

F6I, (4S)-N-(1H-tetrazol-5-yl)-2-[3-(trifluoromethyl) benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (C18 H15 F3 N6 O3 S, 452.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
F6I
Formula
C18 H15 F3 N6 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

F6I in 2 structures; the first of them:

  • 7T5Z · P. aeruginosa LpxA in complex with ligand L8 · F6I B301 · binds MET114, ILE130, VAL132, ASN133, ILE148, SER150, GLY151, TYR152 and 10 more
  • 7T5Z · P. aeruginosa lpxa in complex with ligand L8 · F6I B301 · binds ILE130, VAL132, ASN133, ILE148, SER150, GLY151, TYR152, PHE166 and 6 more

Residues it binds most

ALA 12, GLY 12, ILE 11, HIS 12, MET 12, VAL 12, PHE 12, ASN 12, GLN 12, SER 12 (residue and the binding sites it lines).

Found with

  • PEG · Di(hydroxyethyl)ether

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