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Ligand · XKI

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

XKI, 3-{2-[3-({(6M)-2,4-diamino-6-[2-(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
XKI
Formula
C23 H23 F3 N4 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

XKI in 1 structure; the first of them:

  • 8F85 · Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in… · XKI A202 · binds ILE7, TRP8, ALA9, ILE22, TRP24, ASP29, LEU30, HIS32 and 12 more

Residues it binds most

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

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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