GL1X · GenesisL1 explorer

Ligand · 82A

82A · (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide

82A, (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide (C22 H17 Cl2 F N4 O2, 459.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
82A
Formula
C22 H17 Cl2 F N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

82A in 2 structures; the first of them:

  • 2OJJ · Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethy… · 82A A360 · binds ILE29, GLY30, GLU31, GLY32, ALA33, TYR34, GLY35, MET36 and 17 more
  • 2OJJ · Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4… · 82A A360 · binds ILE29, GLY30, GLU31, GLY32, ALA33, TYR34, GLY35, MET36 and 17 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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