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Ligand · JCY

JCY · 1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl) ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine

JCY, 1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl) ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine (C25 H30 F N5 O, 435.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
JCY
Formula
C25 H30 F N5 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

JCY in 4 structures; the first of them:

  • 6MB0 · Crystal structure of N-myristoyl transferase (NMT) G386E mutant from Plasmodium vivax in… · JCY A502 · binds TYR95, VAL96, GLU97, ASP98, PHE103, ARG104, PHE105, TYR107 and 16 more
  • 6MB1 · Crystal structure of N-myristoyl transferase (NMT) from Plasmodium vivax in complex with… · JCY A502 · binds TYR95, VAL96, GLU97, ASP98, PHE103, ARG104, PHE105, TYR107 and 16 more
  • 6MB0 · Crystal structure of N-myristoyl transferase (nmt) G386E mutant from plasmodium vivax in… · JCY A502 · binds VAL96, GLU97, ASP98, PHE103, ARG104, PHE105, TYR107, ASN161 and 12 more
  • 6MB1 · Crystal structure of N-myristoyl transferase (nmt) from plasmodium vivax in complex with… · JCY A502 · binds VAL96, GLU97, ASP98, PHE103, PHE105, TYR107, ASN161, THR197 and 11 more

Residues it binds most

LEU 12, TYR 12, PHE 12, ASN 12, ALA 12, ASP 12, GLU 9, GLY 12, SER 12, THR 12 (residue and the binding sites it lines).

Found with

  • YNC · Tetradec-13-ynoic acid - coa thioester
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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