GL1X · GenesisL1 explorer

Ligand · 4VJ

4VJ · 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1S, 3R)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4, 5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one

4VJ, 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1S, 3R)-3-hydroxycyclopentyl]amino}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…

Component
4VJ
Formula
C25 H28 Cl N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

4VJ in 2 structures; the first of them:

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

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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