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Ligand · 2SH

2SH · N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide

2SH, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide (C21 H25 Cl F N5 O3, 449.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
2SH
Formula
C21 H25 Cl F N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

2SH in 2 structures; the first of them:

  • 4O6E · Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2 · 2SH A401 · binds ILE31, GLY32, GLU33, GLY34, GLY37, MET38, VAL39, ALA52 and 15 more
  • 4O6E · Discovery of 5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE inhibitors of ERK2 · 2SH A401 · binds ILE31, GLY32, GLU33, GLY34, GLY37, MET38, VAL39, ALA52 and 15 more

Residues it binds most

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

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