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Ligand · SKE

SKE · 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide

SKE, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide (C15 H12 F2 N6 O3 S, 394.4 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (9 PDB entries). Every binding site with its…

Component
SKE
Formula
C15 H12 F2 N6 O3 S
Class
ligand
Structures
10
PDB entries
9

Binding sites

SKE in 10 structures; the first of them:

  • 5DR9 · Aurora A Kinase in Complex with AA29 and JNJ-7706621 in Space Group P6122 · SKE A401 · binds ARG137, LEU139, GLY140, VAL147, ALA160, LEU194, LEU210, GLU211 and 7 more
  • 5DT0 · Aurora A Kinase in Complex with JNJ-7706621 in Space Group P6122 · SKE A401 · binds ARG137, LEU139, GLY140, VAL147, ALA160, LEU194, LEU210, GLU211 and 8 more
  • 5WIN · JAK2 Pseudokinase in complex with JNJ7706621 · SKE A901 · binds LEU551, ILE559, LEU579, GLU627, PHE628, VAL629, LYS630, GLY632 and 5 more
  • 5OBR · Aurora a kinase in complex with 2-(3-chloro-5-FLUOROPHENYL)QUINOLINE- 4-carboxylic acid… · SKE A402 · binds ARG137, LEU139, GLY140, VAL147, ALA160, LEU194, LEU210, GLU211 and 7 more
  • 5USY · JAK2 JH1 in complex with jnj-7706621 · SKE A1201 · binds LEU855, VAL863, ALA880, MET929, GLU930, TYR931, LEU932, PRO933 and 3 more
  • 5USZ · JAK2 JH2 in complex with jnj-7706621 · SKE A901 · binds LEU551, ILE559, LEU579, LYS581, GLN626, GLU627, PHE628, VAL629 and 7 more
  • 5WIN · JAK2 pseudokinase in complex with JNJ7706621 · SKE A901 · binds LEU551, ILE559, LEU579, GLU627, PHE628, VAL629, LYS630, GLY632 and 5 more
  • 6DRW · JAK2 JH1 in complex with jnj-7706621 (crystal form 2) · SKE A1201 · binds LEU855, LYS857, VAL863, ALA880, MET929, GLU930, TYR931, LEU932 and 4 more
  • 6P10 · Structure of spastin aaa domain (N527C mutant) in complex with jnj- 7706621 inhibitor · SKE B802 · binds ASP484, ILE485, ALA486, GLY526, CYS527, GLY528, LEU531, ARG534 and 5 more
  • 6P11 · Structure of spastin aaa domain (T692A mutant) in complex with jnj- 7706621 inhibitor · SKE B802 · binds ASP484, ILE485, ALA486, GLN488, GLY526, ASN527, GLY528, LEU531 and 7 more

Residues it binds most

LEU 11, GLY 11, ALA 8, GLU 9, LYS 6, VAL 9, ARG 5, SER 5, TYR 6, ILE 5 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • 5E2 · 2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid
  • 9QT · 2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid
  • MG · Magnesium ion
  • DMS · Dimethyl sulfoxide

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