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Ligand · IRG

IRG · N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine

IRG, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine (C17 H16 N4, 276.3 g/mol), in the MolNFT structures on GenesisL1: bound in 20 records (10 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
IRG
Formula
C17 H16 N4
Class
ligand
Structures
20
PDB entries
10

Binding sites

IRG in 20 structures; the first of them:

  • 4DLI · Human p38 MAP kinase in complex with RL87 · IRG A401 · binds PRO191, GLU192, LEU195, TRP197, LEU246, LYS249, ILE250, SER251 and 6 more
  • 4EH2 · Human p38 MAP kinase in complex with NP-F1 and RL87 · IRG A401 · binds PRO191, GLU192, LEU195, TRP197, LEU246, LYS249, ILE250, SER251 and 6 more
  • 4EH3 · Human p38 MAP kinase in complex with NP-F2 and RL87 · IRG A402 · binds PRO191, GLU192, LEU195, ASN196, TRP197, LEU246, LYS249, ILE250 and 7 more
  • 4EH4 · Human p38 MAP kinase in complex with NP-F3 and RL87 · IRG A401 · binds PRO191, GLU192, LEU195, TRP197, LEU246, LYS249, ILE250, SER251 and 7 more
  • 4EH5 · Human p38 MAP kinase in complex with NP-F4 and RL87 · IRG A401 · binds PRO191, GLU192, LEU195, ASN196, TRP197, LEU246, LYS249, ILE250 and 7 more
  • 4EH6 · Human p38 MAP kinase in complex with NP-F5 and RL87 · IRG A401 · binds PRO191, GLU192, LEU195, ASN196, TRP197, LEU246, LYS249, ILE250 and 7 more
  • 4EH7 · Human p38 MAP kinase in complex with NP-F6 and RL87 · IRG A401 · binds PRO191, GLU192, LEU195, TRP197, LEU246, LYS249, ILE250, SER251 and 6 more
  • 4EH8 · Human p38 MAP kinase in complex with NP-F7 and RL87 · IRG A401 · binds PRO191, GLU192, LEU195, ASN196, TRP197, LEU246, LYS249, ILE250 and 7 more
  • 4EH9 · Human p38 MAP kinase in complex with NP-F11 and RL87 · IRG A401 · binds PRO191, GLU192, LEU195, TRP197, LEU246, LYS249, ILE250, SER251 and 6 more
  • 4EHV · Human p38 MAP kinase in complex with NP-F10 and RL87 · IRG A403 · binds PRO191, GLU192, MET194, LEU195, ASN196, HIS199, LEU246, LYS249 and 8 more
  • 4DLI · Human P38 MAP kinase in complex with RL87 · IRG A401 · binds PRO191, GLU192, LEU195, TRP197, LEU246, LYS249, ILE250, SER251 and 6 more
  • 4EH2 · Human P38 MAP kinase in complex with np-F1 and RL87 · IRG A401 · binds PRO191, GLU192, LEU195, TRP197, LEU246, LYS249, ILE250, SER251 and 6 more
  • 4EH3 · Human P38 MAP kinase in complex with np-F2 and RL87 · IRG A402 · binds PRO191, GLU192, LEU195, ASN196, TRP197, LEU246, LYS249, ILE250 and 7 more
  • 4EH4 · Human P38 MAP kinase in complex with np-F3 and RL87 · IRG A401 · binds PRO191, GLU192, LEU195, TRP197, LEU246, LYS249, ILE250, SER251 and 7 more
  • 4EH5 · Human P38 MAP kinase in complex with np-F4 and RL87 · IRG A401 · binds PRO191, GLU192, LEU195, ASN196, TRP197, LEU246, LYS249, ILE250 and 7 more
  • 4EH6 · Human P38 MAP kinase in complex with np-F5 and RL87 · IRG A401 · binds PRO191, GLU192, LEU195, ASN196, TRP197, LEU246, LYS249, ILE250 and 7 more
  • 4EH7 · Human P38 MAP kinase in complex with np-F6 and RL87 · IRG A401 · binds PRO191, GLU192, LEU195, TRP197, LEU246, LYS249, ILE250, SER251 and 6 more
  • 4EH8 · Human P38 MAP kinase in complex with np-F7 and RL87 · IRG A401 · binds PRO191, GLU192, LEU195, ASN196, TRP197, LEU246, LYS249, ILE250 and 7 more
  • 4EH9 · Human P38 MAP kinase in complex with np-F11 and RL87 · IRG A401 · binds PRO191, GLU192, LEU195, TRP197, LEU246, LYS249, ILE250, SER251 and 6 more
  • 4EHV · Human P38 MAP kinase in complex with np-F10 and RL87 · IRG A403 · binds PRO191, GLU192, MET194, LEU195, ASN196, HIS199, LEU246, LYS249 and 8 more

Residues it binds most

LEU 22, SER 22, ASP 20, ILE 22, ALA 22, GLU 20, LYS 20, PRO 20, TRP 18, ASN 12 (residue and the binding sites it lines).

Found with

  • 0OK · 3-phenylquinazolin-4(3H)-one
  • 0OL · phenyl(piperidin-1-yl)methanone
  • 0OM · benzyl pyridine-3-carboxylate
  • 0ON · N-phenylpyridine-3-carboxamide
  • 0OO · (3-phenoxyphenyl)methanol
  • 0OP · [3-(benzyloxy)phenyl]methanol
  • 0OQ · (1R,5S)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
  • 0SJ · (1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
  • NAR · Naringenin

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