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Ligand · 6HF

6HF · N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide

6HF, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide (C26 H27 N7 O2, 469.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with…

Component
6HF
Formula
C26 H27 N7 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

6HF in 2 structures; the first of them:

  • 5J9L · Crystal structure of CPT1691 bound to TAK1-TAB1 · 6HF A501 · binds VAL42, VAL50, ALA61, VAL90, MET104, GLU105, TYR106, ALA107 and 7 more
  • 6YG3 · Crystal structure of MKK7 (MAP2K7) covalently bound with CPT1-70-1 · 6HF A510 · binds GLU141, MET142, GLY143, VAL150, ALA163, MET212, GLU213, LEU214 and 9 more

Residues it binds most

GLU 2, MET 2, VAL 2, ALA 2, GLY 2, LEU 2, CYS 1, SER 2, TYR 1, ASN 1 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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