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Ligand · DF3

DF3 · N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide

DF3, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide (C28 H24 F3 N3 O4 S, 555.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
DF3
Formula
C28 H24 F3 N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

DF3 in 2 structures; the first of them:

  • 3IW5 · Human p38 MAP Kinase in Complex with an Indole Derivative · DF3 A362 · binds VAL30, VAL38, ALA51, VAL52, LYS53, LEU75, ILE84, GLY85 and 16 more
  • 3IW5 · Human P38 MAP kinase in complex with an indole derivative · DF3 A362 · binds VAL30, VAL38, ALA51, VAL52, LYS53, LEU75, ILE84, GLY85 and 16 more

Residues it binds most

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

Found with

  • BOG · octyl beta-D-glucopyranoside

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