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Ligand · 046

046 · 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl) phenyl}-2,3-dihydro-1H-indole-1-carboxamide

046, 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl) phenyl}-2,3-dihydro-1H-indole-1-carboxamide (C28 H30 F3 N7 O3, 569.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1…

Component
046
Formula
C28 H30 F3 N7 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

046 in 1 structure; the first of them:

  • 7RN6 · High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to type-II… · 046 A1201 · binds LEU855, VAL863, ALA880, LYS882, GLU898, ILE901, LEU902, LEU905 and 19 more

Residues it binds most

LEU 1, ILE 1, GLU 1, GLY 1, TYR 1, VAL 1, ALA 1, ARG 1, ASP 1, HIS 1 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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