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Ligand · XJT

XJT · 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid

XJT, 3-{2-[3-({(6M)-2,4-diamino-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl}oxy)propoxy]phenyl}propanoic acid (C23 H23 F3 N4 O4, 476.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with…

Component
XJT
Formula
C23 H23 F3 N4 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

XJT in 1 structure; the first of them:

  • 8F82 · Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in… · XJT A201 · binds ILE7, TRP8, ALA9, ILE22, TRP24, ARG25, LEU26, ASP29 and 14 more

Residues it binds most

LEU 1, ILE 1, ARG 1, HIS 1, PRO 1, THR 1, TRP 1, ALA 1, ASP 1, LYS 1 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • BR · Bromide ion
  • MPD · (4S)-2-methyl-2,4-pentanediol

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