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Ligand · 0B9

0B9 · (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide

0B9, (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide (C22 H24 Cl F N6 O, 442.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
0B9
Formula
C22 H24 Cl F N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

0B9 in 2 structures; the first of them:

  • 7N4Q · Bruton's tyrosine kinase in complex with compound 45 · 0B9 A701 · binds LEU408, GLY409, PHE413, GLY414, VAL415, VAL416, ALA428, LYS430 and 14 more
  • 7N4Q · BRUTON'S tyrosine kinase in complex with compound 45 · 0B9 A701 · binds LEU408, GLY409, PHE413, GLY414, VAL415, VAL416, ALA428, LYS430 and 10 more

Residues it binds most

LEU 2, GLY 2, VAL 2, ILE 2, MET 2, ALA 2, ARG 2, ASN 2, ASP 2, GLU 2 (residue and the binding sites it lines).

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