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Ligand · KGZ

KGZ · 1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoranyl-piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide

KGZ, 1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoranyl-piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide (C28 H33 F N6 O2, 504.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
KGZ
Formula
C28 H33 F N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

KGZ in 2 structures; the first of them:

  • 6RSB · Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole… · KGZ A1201 · binds ARG879, LEU881, GLY882, GLU883, GLY884, HIS885, GLY887, LYS888 and 19 more
  • 6RSB · Structure based optimization of JAK1-ATP binding pocket inhibitors in the aminopyrazole… · KGZ A1201 · binds ARG879, LEU881, GLY882, GLU883, GLY884, HIS885, GLY887, LYS888 and 15 more

Residues it binds most

GLY 4, LEU 4, GLU 4, ARG 4, LYS 4, SER 4, VAL 4, ALA 4, ASN 4, ASP 4 (residue and the binding sites it lines).

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