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Ligand · I47

I47 · 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol

I47, 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol (C20 H20 Cl N5 O2, 397.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
I47
Formula
C20 H20 Cl N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

I47 in 2 structures; the first of them:

  • 3HL7 · Crystal Structure of Human p38alpha complexed with SD-0006 · I47 A401 · binds VAL29, SER31, GLY32, VAL37, ALA50, LYS52, LEU74, ILE83 and 11 more
  • 3HL7 · Crystal structure of human P38ALPHA complexed with sd-0006 · I47 A401 · binds VAL29, SER31, GLY32, VAL37, ALA50, LYS52, LEU74, ILE83 and 11 more

Residues it binds most

LEU 2, VAL 2, ASP 2, SER 2, ALA 2, GLY 2, HIS 2, ILE 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • I46 · 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine

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