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Ligand · KS6

KS6 · N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide

KS6, N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide (C22 H29 F N4 O2, 400.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
KS6
Formula
C22 H29 F N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

KS6 in 2 structures; the first of them:

  • 7TY2 · Crystal Structure of SETD2 Bound to an Indole-based Inhibitor · KS6 A1805 · binds TYR1579, PHE1589, VAL1593, ALA1597, TYR1604, TYR1605, PHE1606, MET1607 and 10 more
  • 7TY2 · Crystal structure of SETD2 bound to an indole-based inhibitor · KS6 A1805 · binds TYR1579, PHE1589, TYR1604, TYR1605, PHE1606, MET1607, MET1627, HIS1629 and 7 more

Residues it binds most

TYR 2, PHE 2, MET 2, GLU 2, HIS 2, LEU 2, ALA 1, ASN 1, GLN 1, SAM 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SAM · S-adenosylmethionine

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