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Ligand · DI1

DI1 · 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide

DI1, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide (C30 H31 F3 N4 O3, 552.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
DI1
Formula
C30 H31 F3 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

DI1 in 2 structures; the first of them:

  • 4CKR · Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1 · DI1 A1000 · binds LEU616, VAL624, ALA653, VAL654, LYS655, GLU672, ILE675, MET676 and 19 more
  • 4CKR · Crystal structure of the human DDR1 kinase domain in complex with DDR1-in-1 · DI1 A1000 · binds LEU616, VAL624, ALA653, VAL654, LYS655, GLU672, ILE675, MET676 and 19 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol

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