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Ligand · 5X1

5X1 · 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide

5X1, 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide (C28 H31 F3 N6 O, 524.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1…

Component
5X1
Formula
C28 H31 F3 N6 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

5X1 in 1 structure; the first of them:

  • 5FDX · Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65… · 5X1 A1001 · binds VAL624, ALA653, VAL654, LYS655, GLU672, ILE675, MET676, LEU679 and 13 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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