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Ligand · 469

469 · 2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide

469, 2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide (C27 H30 Cl F N4 O3, 513.0 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
469
Formula
C27 H30 Cl F N4 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

469 in 4 structures; the first of them:

  • 3HUB · Human p38 MAP Kinase in Complex with Scios-469 · 469 A361 · binds VAL30, TYR35, VAL38, ALA51, LYS53, LEU75, ILE84, LEU86 and 12 more
  • 3ZSH · X-ray structure of p38alpha bound to SCIO-469 · 469 A400 · binds VAL30, GLY31, TYR35, VAL38, ALA51, LYS53, LEU75, ILE84 and 13 more
  • 3HUB · Human P38 MAP kinase in complex with scios-469 · 469 A361 · binds VAL30, TYR35, VAL38, ALA51, LYS53, LEU75, ILE84, LEU86 and 12 more
  • 3ZSH · X-ray structure of P38ALPHA bound to scio-469 · 469 A400 · binds VAL30, GLY31, TYR35, VAL38, ALA51, LYS53, LEU75, ILE84 and 13 more

Residues it binds most

LEU 4, ALA 4, VAL 4, GLY 4, ASN 4, ASP 4, HIS 4, ILE 4, LYS 4, MET 4 (residue and the binding sites it lines).

Found with

  • BOG · octyl beta-D-glucopyranoside

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