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Ligand · GG5

GG5 · 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine

GG5, 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine (C14 H10 F N3, 239.2 g/mol), in the MolNFT structures on GenesisL1: bound in 15 records (8 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
GG5
Formula
C14 H10 F N3
Class
ligand
Structures
15
PDB entries
8

Binding sites

GG5 in 15 structures; the first of them:

  • 3HVC · Crystal structure of human p38alpha MAP kinase · GG5 A361 · binds SER32, VAL38, ALA51, LYS53, LEU75, ILE84, LEU86, LEU104 and 7 more
  • 4EWQ · Human p38 alpha MAPK in complex with a pyridazine based inhibitor · GG5 A401 · binds PRO191, GLU192, LEU195, TRP197, LEU232, LEU236, PRO242, LEU246 and 7 more
  • 4F9W · Human P38alpha MAPK in Complex with a Novel and Selective Small Molecule Inhibitor · GG5 A401 · binds PRO191, GLU192, LEU195, TRP197, LEU232, LEU236, PRO242, LEU246 and 7 more
  • 4F9Y · Human P38 alpha MAPK In Complex With a Novel and Selective Small Molecule Inhibitor · GG5 A401 · binds PRO191, GLU192, LEU195, TRP197, LEU232, LEU236, PRO242, LEU246 and 7 more
  • 4FA2 · Human P38 alpha Mitogen-Activated Kinase In Complex With SB239063 · GG5 A401 · binds PRO191, GLU192, LEU195, TRP197, LEU232, LEU236, PRO242, LEU246 and 7 more
  • 4R3C · Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug… · GG5 A401 · binds PRO191, GLU192, LEU195, TRP197, LEU232, LEU236, PRO242, LEU246 and 7 more
  • 4ZTH · Structure of human p38aMAPK-arylpyridazinylpyridine fragment complex used in inhibitor… · GG5 A402 · binds PRO191, GLU192, LEU195, TRP197, LEU232, LEU236, PRO242, LEU246 and 7 more
  • 9MHB · Crystal Structure of Human P38 alpha MAPK In Complex with MW01-14-064SRM · GG5 A402 · binds PRO191, GLU192, LEU195, TRP197, LEU232, LEU236, PRO242, LEU246 and 7 more
  • 3HVC · Crystal structure of human P38ALPHA MAP kinase · GG5 A361 · binds SER32, VAL38, ALA51, LYS53, LEU75, ILE84, LEU86, LEU104 and 7 more
  • 4EWQ · Human P38 alpha MAPK in complex with a pyridazine based inhibitor · GG5 A401 · binds PRO191, GLU192, LEU195, TRP197, LEU232, LEU236, PRO242, LEU246 and 7 more
  • 4F9W · Human P38ALPHA MAPK in complex with a novel and selective small molecule inhibitor · GG5 A401 · binds PRO191, GLU192, LEU195, TRP197, LEU232, LEU236, PRO242, LEU246 and 7 more
  • 4F9Y · Human P38 alpha MAPK in complex with a novel and selective small molecule inhibitor · GG5 A401 · binds PRO191, GLU192, LEU195, TRP197, LEU232, LEU236, PRO242, LEU246 and 7 more
  • 4FA2 · Human P38 alpha mitogen-activated kinase in complex with SB239063 · GG5 A401 · binds PRO191, GLU192, LEU195, TRP197, LEU232, LEU236, PRO242, LEU246 and 7 more
  • 4R3C · Crystal structure of P38 alpha MAP kinase in complex with a novel isoform selective drug… · GG5 A401 · binds PRO191, GLU192, LEU195, TRP197, LEU232, LEU236, PRO242, LEU246 and 7 more
  • 4ZTH · Structure of human P38AMAPK-arylpyridazinylpyridine fragment complex used in inhibitor… · GG5 A402 · binds PRO191, GLU192, LEU195, TRP197, LEU232, LEU236, PRO242, LEU246 and 7 more

Residues it binds most

LEU 22, ILE 22, PRO 15, SER 22, ASP 17, LYS 17, ARG 15, GLU 15, TRP 15, ALA 7 (residue and the binding sites it lines).

Found with

  • BME · Beta-mercaptoethanol
  • ACT · Acetate ion
  • PEG · Di(hydroxyethyl)ether
  • ZN · Zinc ion
  • CL · Chloride ion
  • GOL · Glycerol
  • EDO · 1,2-ethanediol
  • 3GF · 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
  • LM3 · N,N-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine
  • LM4 · N,N-dimethyl-6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-amine
  • MWL · 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine
  • SB0 · trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl]cyclohexanol

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