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Ligand · 1IV

1IV · [(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone

1IV, [(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone (C32 H30 Cl N7 O, 564.1 g/mol), in the MolNFT structures on GenesisL1…

Component
1IV
Formula
C32 H30 Cl N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

1IV in 2 structures; the first of them:

  • 7WMT · Crystal structure of small molecule 13 bound to human Nicotinamide N-methyltransferase · 1IV A501 · binds THR6, SER7, LYS8, TYR11, SER13, ILE62, GLY63, SER64 and 21 more
  • 7WMT · Crystal structure of small molecule 13 bound to human nicotinamide N- methyltransferase · 1IV A501 · binds THR6, SER7, LYS8, TYR11, SER13, GLY63, SER64, GLY65 and 16 more

Residues it binds most

THR 2, SER 2, LEU 2, TYR 2, ALA 2, ASP 2, CYS 2, GLY 2, PRO 2, LYS 2 (residue and the binding sites it lines).

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