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Ligand · KB8

KB8 · 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline

KB8, 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline (C15 H16 F3 N3, 295.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
KB8
Formula
C15 H16 F3 N3
Class
ligand
Structures
3
PDB entries
2

Binding sites

KB8 in 3 structures; the first of them:

  • 4D4V · Focal Adhesion Kinase catalytic domain · KB8 B1691 · binds ILE428, VAL436, ALA452, LYS454, VAL484, MET499, GLU500, LEU501 and 5 more
  • 8G67 · Wildtype PTP1b in complex with DES4884 · KB8 A301 · binds LEU192, ASN193, LEU195, PHE196, ARG199, LEU232, PHE280, ILE281
  • 4D4V · Focal adhesion kinase catalytic domain · KB8 B1691 · binds ILE428, VAL436, ALA452, LYS454, VAL484, MET499, GLU500, LEU501 and 5 more

Residues it binds most

LEU 3, GLU 3, GLY 2, VAL 2, ALA 3, ILE 3, ARG 2, ASP 1, CYS 2, LYS 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • SO4 · Sulfate ion
  • MG · Magnesium ion

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