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Ligand · 51P

51P · 5-[(1Z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine

51P, 5-[(1Z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine (C16 H16 N4 O2, 296.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
51P
Formula
C16 H16 N4 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

51P in 4 structures; the first of them:

  • 3GYF · Human DHFR with Z-isomer in Orthorhombic lattice · 51P A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, THR56 and 8 more
  • 3K45 · Alternate Binding Modes Observed for the E- and Z-isomers of… · 51P A188 · binds ILE7, VAL8, ALA9, GLU30, PHE31, PHE34, THR56, SER59 and 6 more
  • 3GYF · Human DHFR with Z-isomer in orthorhombic lattice · 51P A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, THR56 and 8 more
  • 3K45 · Alternate binding modes observed for the E- and Z-isomers of 2,4… · 51P A188 · binds ILE7, VAL8, ALA9, GLU30, PHE31, PHE34, THR56, SER59 and 6 more

Residues it binds most

ILE 4, PHE 4, THR 4, VAL 4, LEU 4, ALA 4, GLU 4, PRO 4, SER 4, TYR 4 (residue and the binding sites it lines).

Found with

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

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