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Ligand · W4A

W4A · 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide

W4A, 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide (C18 H20 F3 N3 O2, 367.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
W4A
Formula
C18 H20 F3 N3 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

W4A in 4 structures; the first of them:

  • 5MXX · Crystal structure of human SR protein kinase 1 (SRPK1) in complex with compound 1 · W4A A701 · binds LEU86, GLY87, TRP88, VAL94, ALA107, PHE165, GLU166, VAL167 and 7 more
  • 5MYV · Crystal structure of SRPK2 in complex with compound 1 · W4A A716 · binds LEU98, GLY99, TRP100, GLY101, VAL106, ALA119, PHE177, GLU178 and 8 more
  • 5MXX · Crystal structure of human sr protein kinase 1 (SRPK1) in complex with compound 1 · W4A A701 · binds LEU86, GLY87, ALA107, PHE165, GLU166, VAL167, LEU168, GLY169 and 5 more
  • 5MYV · Crystal structure of SRPK2 in complex with compound 1 · W4A A716 · binds LEU98, GLY99, TRP100, VAL106, ALA119, PHE177, GLU178, VAL179 and 6 more

Residues it binds most

LEU 10, VAL 10, GLY 10, GLU 10, HIS 10, PHE 10, TYR 10, ALA 9, MET 8, TRP 8 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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