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Ligand · TQD

TQD · (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine

TQD, (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine (C19 H29 N5 O3, 375.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
TQD
Formula
C19 H29 N5 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

TQD in 4 structures; the first of them:

  • 1S3U · Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and… · TQD A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, GLN35 and 8 more
  • 1S3V · Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and… · TQD A187 · binds ILE7, VAL8, ALA9, ASP21, LEU22, GLU30, PHE31, PHE34 and 9 more
  • 1S3U · Structure determination of tetrahydroquinazoline antifolates in complex with human and… · TQD A187 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, GLN35 and 8 more
  • 1S3V · Structure determination of tetrahydroquinazoline antifolates in complex with human and… · TQD A187 · binds ILE7, VAL8, ALA9, ASP21, LEU22, GLU30, PHE31, PHE34 and 9 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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