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Ligand · B43

B43 · 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane

B43, 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane (C23 H22 N4 O, 370.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
B43
Formula
C23 H22 N4 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

B43 in 6 structures; the first of them:

  • 3GEN · The 1.6 A crystal structure of human bruton's tyrosine kinase bound to a… · B43 A1 · binds LEU408, GLY409, VAL416, ALA428, LYS430, MET449, VAL458, ILE472 and 11 more
  • 3VRY · Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor… · B43 A601 · binds LEU273, GLY274, VAL281, ALA293, LYS295, MET314, VAL323, LEU325 and 13 more
  • 4IH8 · Crystal structure of TgCDPK1 with inhibitor bound · B43 A601 · binds LEU57, GLY58, LYS59, VAL65, ALA78, LYS80, LEU103, MET112 and 12 more
  • 3GEN · The 1.6 a crystal structure of human BRUTON'S tyrosine kinase bound to a… · B43 A1 · binds LEU408, GLY409, VAL416, ALA428, LYS430, MET449, VAL458, ILE472 and 11 more
  • 3VRY · Crystal structure of hck complexed with a pyrrolo-pyrimidine inhibitor… · B43 A601 · binds LEU273, GLY274, VAL281, ALA293, LYS295, MET314, VAL323, LEU325 and 13 more
  • 4IH8 · Crystal structure of TGCDPK1 with inhibitor bound · B43 A601 · binds LEU57, GLY58, LYS59, VAL65, ALA78, LYS80, LEU103, MET112 and 12 more

Residues it binds most

LEU 8, GLY 8, VAL 8, MET 8, ALA 8, ASP 8, PHE 8, GLU 8, LYS 8, ILE 8 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • CL · Chloride ion

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