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Ligand · KB9

KB9 · 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one

KB9, 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one (C24 H29 N3 O, 375.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
KB9
Formula
C24 H29 N3 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

KB9 in 1 structure; the first of them:

  • 7ZXD · Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor · KB9 A501 · binds ILE104, GLU107, ASP108, VAL111, GLN112, PRO213, LYS214, SER217 and 7 more

Residues it binds most

VAL 4, PHE 4, MET 3, ILE 4, ALA 4, GLN 4, LEU 4, PRO 3, ASN 3, SER 3 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • CL · Chloride ion
  • SO4 · Sulfate ion

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