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Ligand · 4VG

4VG · 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4, 5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one

4VG, 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4, 5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one (C25 H28 Cl N5 O3, 482.0 g/mol), in the MolNFT structures on GenesisL1: bound in 1…

Component
4VG
Formula
C25 H28 Cl N5 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

4VG in 1 structure; the first of them:

  • 5BVE · Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase · 4VG A401 · binds ILE29, GLU31, GLY32, ALA33, TYR34, GLY35, MET36, VAL37 and 17 more

Residues it binds most

ASP 1, LYS 1, ALA 1, GLU 1, GLY 1, ILE 1, LEU 1, MET 1, ASN 1, CYS 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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