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Ligand · VY7

VY7 · 1-{2-[2-(2,4-diamino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid

VY7, 1-{2-[2-(2,4-diamino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid (C20 H24 N6 O4, 412.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
VY7
Formula
C20 H24 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

VY7 in 2 structures; the first of them:

  • 7K69 · Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in… · VY7 A202 · binds ILE7, TRP8, ALA9, ILE22, ASP29, LEU30, PHE33, LYS34 and 9 more
  • 7K69 · Crystal structure of dihydrofolate reductase (DHFR) from mycobacterium ulcerans AGY99 in… · VY7 A202 · binds ILE7, TRP8, ALA9, ILE22, ASP29, LEU30, PHE33, LYS34 and 8 more

Residues it binds most

ILE 2, LEU 2, PRO 2, ALA 2, ARG 2, ASP 2, HIS 2, LYS 2, PHE 2, THR 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • SER · Serine

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