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Ligand · 71N

71N · 2-(trifluoromethyl)-1H-benzimidazol-5-amine

71N, 2-(trifluoromethyl)-1H-benzimidazol-5-amine (C8 H6 F3 N3, 201.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
71N
Formula
C8 H6 F3 N3
Class
ligand
Structures
3
PDB entries
2

Binding sites

71N in 3 structures; the first of them:

  • 5SXA · Crystal Structure of PI3Kalpha in complex with fragment 10 · 71N A1101 · binds GLU263, TYR265, ASP625, LYS656
  • 5PH0 · Pandda analysis group deposition -- crystal structure of JMJD2D in complex with N09484A · 71N A417 · binds GLU39, HIS44, TYR199, PHE275, PRO276, ARG299, TYR303
  • 5SXA · Crystal structure of PI3KALPHA in complex with fragment 10 · 71N A1101 · binds TYR265, ASP625

Residues it binds most

TYR 3, ASP 2, GLU 2, ARG 1, HIS 1, LYS 1, PHE 1, PRO 1 (residue and the binding sites it lines).

Found with

  • OGA · N-oxalylglycine
  • MG · Magnesium ion
  • NI · Nickel (II) ion
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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