GL1X · GenesisL1 explorer

Ligand · GHW

GHW · N-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid

GHW, N-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid (C19 H18 N4 O6 S2, 462.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component
GHW
Formula
C19 H18 N4 O6 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

GHW in 4 structures; the first of them:

  • 3GHW · Human dihydrofolate reductase inhibitor complex · GHW A187 · binds ILE7, VAL8, ALA9, LEU22, ARG28, GLU30, PHE31, ARG32 and 11 more
  • 3GI2 · Human dihydrofolate reductase Q35K mutant inhibitor complex · GHW A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, ARG32, PHE34 and 11 more
  • 3GHW · Human dihydrofolate reductase inhibitor complex · GHW A187 · binds ILE7, VAL8, ALA9, LEU22, ARG28, GLU30, PHE31, ARG32 and 11 more
  • 3GI2 · Human dihydrofolate reductase Q35K mutant inhibitor complex · GHW A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, ARG32, PHE34 and 11 more

Residues it binds most

ARG 4, ILE 4, LEU 4, PHE 4, THR 4, VAL 4, ALA 4, ASN 4, GLU 4, LYS 2 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • SO4 · Sulfate ion

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