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Ligand · 0K6

0K6 · 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

0K6, 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide (C23 H30 N8 O2, 450.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
0K6
Formula
C23 H30 N8 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

0K6 in 2 structures; the first of them:

  • 4DHF · Structure of Aurora A mutant bound to Biogenidec cpd 15 · 0K6 A401 · binds ARG137, LEU139, GLY140, VAL147, ALA160, LYS162, LEU194, LEU210 and 11 more
  • 4DHF · Structure of aurora a mutant bound to biogenidec cpd 15 · 0K6 A401 · binds ARG137, LEU139, GLY140, VAL147, ALA160, LYS162, LEU194, LEU210 and 11 more

Residues it binds most

LEU 4, ALA 4, GLU 4, GLY 4, LYS 4, ARG 4, ASP 4, PRO 4, THR 4, TYR 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • PO4 · Phosphate ion

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