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Ligand · 37F

37F · N-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide

37F, N-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide (C27 H24 F3 N5 O2, 507.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
37F
Formula
C27 H24 F3 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

37F in 2 structures; the first of them:

  • 4QQE · Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345 · 37F A401 · binds ALA47, VAL48, SER49, SER50, SER64, ALA65, GLY89, ILE90 and 12 more
  • 4QQE · Crystal structure of WDR5, wd repeat domain 5 in complex with compound sgc-ds-mt-0345 · 37F A401 · binds ALA47, VAL48, SER49, SER50, SER64, ALA65, GLY89, ILE90 and 12 more

Residues it binds most

SER 2, PHE 2, ALA 2, ASP 2, ILE 2, CYS 2, GLY 2, LEU 2, PRO 2, TYR 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • UNX · Unknown atom or ion
  • EDO · 1,2-ethanediol

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