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Ligand · BAX

BAX · 4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-N-methylpyridine-2-carboxamide

BAX, 4-{4-[({[4-chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-N-methylpyridine-2-carboxamide (C21 H16 Cl F3 N4 O3, 464.8 g/mol), in the MolNFT structures on GenesisL1: bound in 15 records (8 PDB entries). Every binding…

Component
BAX
Formula
C21 H16 Cl F3 N4 O3
Class
ligand
Structures
15
PDB entries
8

Binding sites

BAX in 15 structures; the first of them:

  • 1UWH · The complex of wild type B-RAF and BAY439006. · BAX A1723 · binds ILE462, VAL470, ALA480, LYS482, GLU500, VAL503, LEU504, THR507 and 16 more
  • 1UWJ · The complex of mutant V599E B-RAF and BAY439006. · BAX A1723 · binds ILE462, VAL470, ALA480, LYS482, GLU500, VAL503, LEU504, THR507 and 17 more
  • 3GCS · Human P38 MAP kinase in complex with Sorafenib · BAX A401 · binds VAL30, VAL38, ALA51, LYS53, ARG70, GLU71, LEU74, LEU75 and 16 more
  • 3HEG · P38 in complex with Sorafenib · BAX A1 · binds VAL30, TYR35, VAL38, ALA51, LYS53, GLU71, LEU74, LEU75 and 16 more
  • 3RGF · Crystal Structure of human CDK8/CycC · BAX A465 · binds VAL35, ALA50, LYS52, GLU66, LEU69, LEU70, LEU73, VAL78 and 17 more
  • 3WZE · KDR in complex with ligand sorafenib · BAX A1201 · binds LEU840, VAL848, ALA866, LYS868, GLU885, ILE888, LEU889, ILE892 and 15 more
  • 4ASD · Crystal Structure of VEGFR2 (Juxtamembrane and Kinase Domains) in Complex with SORAFENIB… · BAX A1500 · binds LEU840, VAL848, ALA866, LYS868, GLU885, ILE888, LEU889, ILE892 and 16 more
  • 1UWH · The complex of wild type B-RAF and BAY439006. · BAX A1723 · binds ILE462, VAL470, ALA480, LYS482, GLU500, VAL503, LEU504, THR507 and 16 more
  • 1UWJ · The complex of mutant V599E B-RAF and BAY439006. · BAX A1723 · binds ILE462, VAL470, ALA480, LYS482, GLU500, VAL503, LEU504, THR507 and 17 more
  • 3GCS · Human P38 MAP kinase in complex with sorafenib · BAX A401 · binds VAL30, VAL38, ALA51, LYS53, ARG70, GLU71, LEU74, LEU75 and 16 more
  • 3HEG · P38 in complex with sorafenib · BAX A1 · binds VAL30, TYR35, VAL38, ALA51, LYS53, GLU71, LEU74, LEU75 and 16 more
  • 3RGF · Crystal structure of human CDK8/CYCC · BAX A465 · binds VAL35, ALA50, LYS52, GLU66, LEU69, LEU70, LEU73, VAL78 and 17 more
  • 3WZE · Kdr in complex with ligand sorafenib · BAX A1201 · binds LEU840, VAL848, ALA866, LYS868, GLU885, ILE888, LEU889, ILE892 and 15 more
  • 4ASD · Crystal structure of VEGFR2 (juxtamembrane and kinase domains) in complex with sorafenib… · BAX A1500 · binds LEU840, VAL848, ALA866, LYS868, GLU885, ILE888, LEU889, ILE892 and 16 more
  • 5HI2 · Braf kinase domain B3AC loop deletion mutant in complex with sorafenib · BAX A801 · binds ILE463, VAL471, ALA481, LYS483, GLU501, VAL504, LEU505, THR508 and 15 more

Residues it binds most

ILE 19, LEU 19, VAL 19, PHE 19, LYS 19, GLU 19, ALA 19, ASP 19, HIS 19, GLY 17 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • ACT · Acetate ion
  • BOG · octyl beta-D-glucopyranoside
  • DTT · 2,3-dihydroxy-1,4-dithiobutane
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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