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Ligand · 66P

66P · 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one

66P, 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one (C18 H21 N5 O, 323.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
66P
Formula
C18 H21 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

66P in 2 structures; the first of them:

  • 5HX8 · Jak1 complex with 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one · 66P A1201 · binds ARG879, LEU881, GLY882, VAL889, ALA906, VAL938, MET956, GLU957 and 11 more
  • 5HX8 · JAK1 complex with 4-[(4-AMINOCYCLOHEXYL)AMINO]-3-(1H-benzimidazol-2- yl)-1H-pyridin-2-one · 66P A1201 · binds ARG879, LEU881, GLY882, VAL889, ALA906, VAL938, MET956, GLU957 and 11 more

Residues it binds most

GLY 4, LEU 4, GLU 4, VAL 4, ARG 4, SER 4, ALA 4, ASN 4, ASP 4, MET 4 (residue and the binding sites it lines).

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