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Ligand · 3SM

3SM · 2-methoxy-N-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]pyridin-2-yl}methyl)acetamide

3SM, 2-methoxy-N-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]pyridin-2-yl}methyl)acetamide (C19 H21 N7 O2, 379.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component
3SM
Formula
C19 H21 N7 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

3SM in 1 structure; the first of them:

  • 4WOV · Crystal structure of tyrosine kinase 2 JH2 (pseudo kinase domain) complexed with bms-066… · 3SM A901 · binds LEU595, GLY596, GLN597, VAL603, VAL640, LYS642, GLU688, TYR689 and 8 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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