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Ligand · VJH

VJH · 2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide

VJH, 2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide (C29 H31 F N10 O, 554.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
VJH
Formula
C29 H31 F N10 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

VJH in 2 structures; the first of them:

  • 7NZN · Structure of RET kinase domain bound to inhibitor JB-48 · VJH A1101 · binds LEU730, GLY731, GLU732, GLY733, GLU734, VAL738, ALA756, LYS758 and 14 more
  • 7NZN · Structure of ret kinase domain bound to inhibitor jb-48 · VJH A1101 · binds LEU730, GLY731, GLU732, GLY733, GLU734, VAL738, ALA756, LYS758 and 10 more

Residues it binds most

GLU 2, GLY 2, ALA 2, ASP 2, LEU 2, LYS 2, TYR 2, VAL 2, ARG 2, ASN 2 (residue and the binding sites it lines).

Found with

  • FMT · Formic acid

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