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Ligand · PP0

PP0 · ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

PP0, ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate (C23 H31 N3 O3, 397.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
PP0
Formula
C23 H31 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

PP0 in 2 structures; the first of them:

  • 3IW6 · Human p38 MAP Kinase in Complex with a Benzylpiperazin-Pyrrol · PP0 A361 · binds VAL30, VAL38, ALA51, LYS53, LEU75, ILE84, LEU104, VAL105 and 11 more
  • 3IW6 · Human P38 MAP kinase in complex with a benzylpiperazin-pyrrol · PP0 A361 · binds VAL30, VAL38, ALA51, LYS53, LEU75, ILE84, LEU104, VAL105 and 11 more

Residues it binds most

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

Found with

  • BOG · octyl beta-D-glucopyranoside

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