GL1X · GenesisL1 explorer

Ligand · 95X

95X · (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid

95X, (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid (C22 H17 Cl2 F O3, 419.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
95X
Formula
C22 H17 Cl2 F O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

95X in 2 structures; the first of them:

  • 7SEL · E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3) · 95X A601 · binds PHE157, LEU171, LEU174, ALA175, VAL178, SER179, ILE182, ARG190 and 10 more
  • 7SEL · E. COLI msba in complex with lps and inhibitor G7090 (compound 3) · 95X A601 · binds LEU171, LEU174, ALA175, VAL178, SER179, ILE182, ARG190, ILE255 and 8 more

Residues it binds most

LEU 4, ALA 4, ILE 4, MET 4, LYS 4, VAL 4, THR 3, ARG 2, ASP 2, PHE 2 (residue and the binding sites it lines).

Found with

  • KDL · (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl) ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R}, 5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S}, 4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(o

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