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Ligand · 2IR

2IR · N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl) phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine

2IR, N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl) phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine (C32 H37 F3 N6 O, 578.7 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
2IR
Formula
C32 H37 F3 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

2IR in 2 structures; the first of them:

  • 7R9C · Cocrystal of BRD4(D1) with N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]p… · 2IR A202 · binds PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, MET105, ASP106 and 7 more
  • 7R9C · Cocrystal of BRD4(D1) with N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5… · 2IR A202 · binds PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, MET105, MET132 and 4 more

Residues it binds most

ASN 2, LEU 2, MET 2, TYR 2, ASP 1, CYS 2, ILE 2, PHE 2, PRO 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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