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Ligand · G2G

G2G · 5-tert-butyl-2-(4-methylphenyl)-3-{[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1-naphthyl}amino)carbonyl]amino}-1H-pyrazol-2-ium

G2G, 5-tert-butyl-2-(4-methylphenyl)-3-{[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1-naphthyl}amino)carbonyl]amino}-1H-pyrazol-2-ium (C35 H39 N6 O2 +1, 575.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
G2G
Formula
C35 H39 N6 O2 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

G2G in 2 structures; the first of them:

  • 2PUU · Crystal structure of p38 complex with 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(6-m… · G2G A391 · binds VAL30, VAL38, ALA51, LYS53, ARG67, ARG70, GLU71, LEU74 and 16 more
  • 2PUU · Crystal structure of P38 complex with 1-(5-tert-butyl-2-P-tolyl-2H… · G2G A391 · binds VAL30, VAL38, ALA51, LYS53, ARG67, ARG70, GLU71, LEU74 and 16 more

Residues it binds most

LEU 2, VAL 2, ALA 2, ARG 2, ASP 2, ILE 2, MET 2, GLU 2, GLY 2, HIS 2 (residue and the binding sites it lines).

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