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Ligand · 4R7

4R7 · methyl 6-[4-[[N-[2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate

4R7, methyl 6-[4-[[N-[2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate (C29 H36 N10 O7, 636.7 g/mol), in the MolNFT structures on…

Component
4R7
Formula
C29 H36 N10 O7
Class
ligand
Structures
3
PDB entries
2

Binding sites

4R7 in 3 structures; the first of them:

  • 7P2R · Crystal structure of mouse PRMT6 in complex with inhibitor EML980 · 4R7 A401 · binds ASP47, TYR50, TYR51, TYR54, HIS60, MET63, GLY93, GLY95 and 17 more
  • 7PU8 · CARM1 in complex with EML980 · 4R7 A501 · binds PHE138, GLN149, TYR150, PHE151, PHE153, TYR154, GLN160, MET163 and 23 more
  • 7PU8 · CARM1 in complex with EML980 · 4R7 A501 · binds GLN149, TYR150, PHE151, PHE153, TYR154, MET163, GLY193, GLU215 and 16 more

Residues it binds most

GLU 10, TYR 10, GLY 10, MET 10, PHE 8, SER 10, VAL 10, LYS 8, HIS 10, PRO 10 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • SAH · S-adenosyl-L-homocysteine

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