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Ligand · 0JA

0JA · 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide

0JA, 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide (C27 H19 Cl F N5 O3 S, 548.0 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
0JA
Formula
C27 H19 Cl F N5 O3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

0JA in 4 structures; the first of them:

  • 3VNT · Crystal Structure of the Kinase domain of Human VEGFR2 with a… · 0JA A2001 · binds LEU840, VAL848, ALA866, LYS868, GLU885, LEU889, ILE892, VAL898 and 16 more
  • 4DBN · Crystal Structure of the Kinase domain of Human B-raf with a [1,3]thiazolo[5,4-b]pyridine… · 0JA A901 · binds ILE462, VAL470, ALA480, LYS482, GLU500, VAL503, LEU504, THR507 and 17 more
  • 3VNT · Crystal structure of the kinase domain of human VEGFR2 with a [1… · 0JA A2001 · binds LEU840, VAL848, ALA866, LYS868, GLU885, LEU889, ILE892, VAL898 and 16 more
  • 4DBN · Crystal structure of the kinase domain of human B-RAF with a [1… · 0JA A901 · binds ILE462, VAL470, ALA480, LYS482, GLU500, VAL503, LEU504, THR507 and 17 more

Residues it binds most

ILE 6, LEU 6, VAL 6, PHE 6, GLU 6, GLY 6, ALA 6, CYS 6, LYS 6, THR 4 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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