GL1X · GenesisL1 explorer

Ligand · 018

018 · 2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline

018, 2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline (C12 H9 F3 N2 O2 S, 302.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
018
Formula
C12 H9 F3 N2 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

018 in 2 structures; the first of them:

  • 3H7W · Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS… · 018 A1 · binds SER246, HIS248, MET252, PHE254, ALA277, TYR281, MET289, SER292 and 11 more
  • 3H7W · Crystal structure of the high affinity heterodimer of HIF2 alpha and arnt C-terminal pas… · 018 A1 · binds SER246, HIS248, MET252, PHE254, ALA277, TYR281, MET289, SER292 and 11 more

Residues it binds most

MET 2, SER 2, HIS 2, LEU 2, TYR 2, ALA 2, ASN 2, CYS 2, ILE 2, PHE 2 (residue and the binding sites it lines).

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