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Ligand · CI8

CI8 · 2-[2-[[5-[3-[bis(2-hydroxyethyl)-methyl-$l^{4}-azanyl]propoxy]-6-methoxy-1,3-benzothiazol-2-yl]methylcarbamoyl]-5,6-bis(fluoranyl)-1,3-dihydroinden-2-yl]ethanoic acid

CI8, 2-[2-[[5-[3-[bis(2-hydroxyethyl)-methyl-$l^{4}-azanyl]propoxy]-6-methoxy-1,3-benzothiazol-2-yl]methylcarbamoyl]-5,6-bis(fluoranyl)-1,3-dihydroinden-2-yl]ethanoic acid (C29 H36 F2 N3 O7 S +1, 608.7 g/mol), in the MolNFT structures on…

Component
CI8
Formula
C29 H36 F2 N3 O7 S +1
Class
ligand
Structures
1
PDB entries
1

Binding sites

CI8 in 1 structure; the first of them:

  • 7QH1 · Discovery and development of a novel inhaled antivirulence therapy for the treatment of… · CI8 A402 · binds GLU111, ASN112, ALA113, MET128, PHE129, LEU132, ASP136, VAL137 and 12 more

Residues it binds most

GLU 4, HIS 4, ILE 4, LEU 4, ARG 4, TYR 4, ALA 4, ASN 4, GLY 4, MET 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion

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