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Ligand · 9WI

9WI · (4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile

9WI, (4R)-6-{[2-(4-cyanoanilino)pyrimidin-4-yl]amino}-5,7-dimethylindolizine-2-carbonitrile (C22 H17 N7, 379.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
9WI
Formula
C22 H17 N7
Class
ligand
Structures
2
PDB entries
1

Binding sites

9WI in 2 structures; the first of them:

  • 7SNZ · Crystal Structure of HIV-1 Reverse Transcriptase in Complex with… · 9WI A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL179, TYR181 and 10 more
  • 7SNZ · Crystal structure of HIV-1 reverse transcriptase in complex with 6… · 9WI A601 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL179, TYR181 and 10 more

Residues it binds most

LYS 2, PRO 2, TYR 2, LEU 2, VAL 2, GLU 2, GLY 2, HIS 2, PHE 2, TRP 2 (residue and the binding sites it lines).

Found with

  • PUT · 1,4-diaminobutane
  • MG · Magnesium ion
  • SO4 · Sulfate ion

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