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Ligand · 9W3

9W3 · 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl) amino]benzonitrile

9W3, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl) amino]benzonitrile (C28 H30 N8 O2, 510.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every…

Component
9W3
Formula
C28 H30 N8 O2
Class
ligand
Structures
4
PDB entries
3

Binding sites

9W3 in 4 structures; the first of them:

  • 7SO3 · Crystal Structure of HIV-1 Reverse Transcriptase K103N/Y181C Variant in Complex with… · 9W3 A601 · binds LEU100, LYS101, ASN103, VAL179, CYS181, TYR183, TYR188, PHE227 and 8 more
  • 7SO1 · Crystal structure of HIV-1 reverse transcriptase in complex with (E)… · 9W3 A601 · binds PRO95, LEU100, LYS101, LYS103, VAL106, PRO176, VAL179, TYR181 and 8 more
  • 7SO2 · Crystal structure of HIV-1 reverse transcriptase Y181C variant in complex with… · 9W3 A601 · binds LEU100, LYS101, LYS103, VAL179, CYS181, TYR188, PHE227, LEU234 and 5 more
  • 7SO3 · Crystal structure of HIV-1 reverse transcriptase K103N/Y181C variant in complex with… · 9W3 A601 · binds LEU100, LYS101, ASN103, VAL179, CYS181, TYR183, TYR188, PHE227 and 8 more

Residues it binds most

TYR 4, LEU 4, LYS 4, PRO 4, VAL 4, GLU 4, HIS 4, PHE 4, CYS 3, ILE 3 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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