GL1X · GenesisL1 explorer

Ligand · 3K3

3K3 · 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one

3K3, 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one (C25 H17 F3 N4 O3, 478.4 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
3K3
Formula
C25 H17 F3 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3K3 in 2 structures; the first of them:

  • 4R5Y · The complex structure of Braf V600E kinase domain with a novel Braf inhibitor · 3K3 A801 · binds ILE463, VAL471, ALA481, VAL482, LYS483, GLU501, VAL504, LEU505 and 17 more
  • 4R5Y · The complex structure of braf V600E kinase domain with a novel braf inhibitor · 3K3 A801 · binds ILE463, VAL471, ALA481, VAL482, LYS483, GLU501, VAL504, LEU505 and 17 more

Residues it binds most

ILE 4, LEU 4, VAL 4, PHE 4, THR 4, GLY 4, ALA 4, ASP 4, CYS 4, GLN 4 (residue and the binding sites it lines).

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