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Ligand · TKB

TKB · 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide

TKB, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide (C29 H43 N7 O5 S, 601.8 g/mol), in the MolNFT structures on…

Component
TKB
Formula
C29 H43 N7 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

TKB in 2 structures; the first of them:

  • 7BE5 · Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR276 · TKB A403 · binds VAL30, VAL38, ALA51, LYS53, ARG67, GLU71, LEU74, LEU75 and 15 more
  • 7BE5 · Crystal structure of MAP kinase P38 alpha in complex with inhibitor SR276 · TKB A403 · binds VAL30, VAL38, ALA51, LYS53, ARG67, GLU71, LEU74, LEU75 and 15 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol

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