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Ligand · EUW

EUW · 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide

EUW, 2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide (C28 H29 Cl N8 O4, 577.0 g/mol), in the MolNFT structures on…

Component
EUW
Formula
C28 H29 Cl N8 O4
Class
ligand
Structures
3
PDB entries
2

Binding sites

EUW in 3 structures; the first of them:

  • 6GCR · Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor · EUW A701 · binds ARG426, CYS427, ILE428, GLY429, GLU430, VAL436, GLN438, ALA452 and 13 more
  • 6GCR · Focal adhesion kinase catalytic domain in complex with irreversible inhibitor · EUW A701 · binds ARG426, CYS427, ILE428, GLY429, VAL436, ALA452, GLU500, LEU501 and 9 more
  • 6GCX · Focal adhesion kinase catalytic domain in complex with irreversible inhibitor · EUW A701 · binds ARG426, CYS427, ILE428, VAL436, GLN438, ALA452, VAL484, MET499 and 12 more

Residues it binds most

LEU 3, GLY 3, CYS 3, GLU 3, VAL 3, ALA 3, ARG 3, ASN 3, ASP 3, ILE 3 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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