GL1X · GenesisL1 explorer

Ligand · RYW

RYW · (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide

RYW, (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide (C29 H31 Cl F N5 O5, 584.0 g/mol), in the MolNFT structures…

Component
RYW
Formula
C29 H31 Cl F N5 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

RYW in 2 structures; the first of them:

  • 7AUV · The structure of ERK2 in complex with dual inhibitor ASTX029 · RYW A405 · binds ILE31, ALA35, TYR36, VAL39, ALA52, LYS54, ILE56, PRO58 and 17 more
  • 7AUV · The structure of ERK2 in complex with dual inhibitor ASTX029 · RYW A405 · binds ILE31, ALA35, TYR36, VAL39, ALA52, LYS54, ILE56, PRO58 and 17 more

Residues it binds most

ASP 2, ILE 2, ALA 2, GLU 2, LEU 2, LYS 2, THR 2, TYR 2, ARG 2, CYS 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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