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Ligand · 5P8

5P8 · (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile

5P8, (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile (C21 H19 F N6 O2, 406.4 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
5P8
Formula
C21 H19 F N6 O2
Class
ligand
Structures
12
PDB entries
6

Binding sites

5P8 in 12 structures; the first of them:

  • 4CLI · Structure of the Human Anaplastic Lymphoma Kinase in Complex with PF- 06463922… · 5P8 A2401 · binds LEU1122, GLY1123, VAL1130, ALA1148, LYS1150, VAL1180, LEU1196, GLU1197 and 11 more
  • 4CLJ · Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922… · 5P8 A2402 · binds LEU1122, GLY1123, VAL1130, ALA1148, LYS1150, VAL1180, MET1196, GLU1197 and 11 more
  • 4UXL · Structure of Human ROS1 Kinase Domain in Complex with PF-06463922 · 5P8 A3230 · binds LEU1951, GLY1952, VAL1959, GLU1961, ALA1978, LYS1980, LEU2010, LEU2026 and 12 more
  • 5A9U · Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922… · 5P8 A2402 · binds LEU1122, GLY1123, VAL1130, ALA1148, LYS1150, VAL1180, LEU1196, GLU1197 and 11 more
  • 5AA8 · Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with… · 5P8 A2402 · binds LEU1122, GLY1123, HIS1124, VAL1130, ALA1148, LYS1150, VAL1180, LEU1196 and 12 more
  • 5AA9 · Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922… · 5P8 A2402 · binds LEU1122, GLY1123, VAL1130, ALA1148, LYS1150, LEU1196, GLU1197, PHE1198 and 10 more
  • 4CLI · Structure of the human anaplastic lymphoma kinase in complex with pf- 06463922… · 5P8 A2401 · binds LEU1122, GLY1123, VAL1130, ALA1148, LYS1150, VAL1180, LEU1196, GLU1197 and 11 more
  • 4CLJ · Structure of L1196M mutant human anaplastic lymphoma kinase in complex with pf-06463922… · 5P8 A2402 · binds LEU1122, GLY1123, VAL1130, ALA1148, LYS1150, VAL1180, MET1196, GLU1197 and 11 more
  • 4UXL · Structure of human ROS1 kinase domain in complex with pf-06463922 · 5P8 A3230 · binds LEU1951, GLY1952, VAL1959, GLU1961, ALA1978, LYS1980, LEU2010, LEU2026 and 12 more
  • 5A9U · Structure of C1156Y mutant human anaplastic lymphoma kinase in complex with pf-06463922… · 5P8 A2402 · binds LEU1122, GLY1123, VAL1130, ALA1148, LYS1150, VAL1180, LEU1196, GLU1197 and 11 more
  • 5AA8 · Structure of C1156Y,L1198F mutant human anaplastic lymphoma kinase in complex with… · 5P8 A2402 · binds LEU1122, GLY1123, HIS1124, VAL1130, ALA1148, LYS1150, VAL1180, LEU1196 and 12 more
  • 5AA9 · Structure of L1198F mutant human anaplastic lymphoma kinase in complex with pf-06463922… · 5P8 A2402 · binds LEU1122, GLY1123, VAL1130, ALA1148, LYS1150, LEU1196, GLU1197, PHE1198 and 10 more

Residues it binds most

LEU 12, GLY 12, ASP 12, ALA 12, VAL 12, GLU 12, MET 12, ARG 12, ASN 12, CYS 12 (residue and the binding sites it lines).

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