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Ligand · F6D

F6D · (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl) ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile

F6D, (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl) ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile (C24 H25 Cl N8 O, 477.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
F6D
Formula
C24 H25 Cl N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

F6D in 2 structures; the first of them:

  • 6CKW · Phosphopantetheine adenylyltransferase (CoaD) in complex with… · F6D A201 · binds PRO8, GLY9, THR10, ALA37, ALA38, SER39, PRO40, PHE70 and 11 more
  • 6CKW · Phosphopantetheine adenylyltransferase (coad) in complex with (R)-3… · F6D A201 · binds PRO8, GLY9, THR10, ALA37, ALA38, SER39, PRO40, PHE70 and 10 more

Residues it binds most

LEU 4, ALA 4, MET 4, PRO 4, SER 4, ASN 4, ASP 4, GLN 4, GLY 4, PHE 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • PG4 · Tetraethylene glycol

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