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Ligand · 72F

72F · N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl) benzamide

72F, N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl) benzamide (C31 H27 F3 N6 O3, 588.6 g/mol), in the MolNFT structures on GenesisL1…

Component
72F
Formula
C31 H27 F3 N6 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

72F in 1 structure; the first of them:

  • 5SYS · C-src V281C bound to N-[3-({6-[(1E)-2-cyano-3-(methylamino)-3-oxoprop… · 72F A600 · binds LEU273, CYS281, ALA293, ILE294, LYS295, GLU310, MET314, LEU317 and 12 more

Residues it binds most

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

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