Ligand · SMY
SMY · (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine
SMY, (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine (C22 H26 N6 O S, 422.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…
- Component
- SMY
- Formula
- C22 H26 N6 O S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
SMY in 4 structures; the first of them:
- 3OW3 · Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors · SMY A401 · binds LEU49, GLY50, THR51, GLY52, VAL57, ALA70, LYS72, VAL104 and 13 more
- 3OW4 · Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors · SMY A1 · binds LEU156, GLY157, LYS158, GLY159, GLY162, LYS163, VAL164, ALA177 and 13 more
- 3OW3 · Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan AKT inhibitors · SMY A351 · binds LEU49, GLY50, THR51, GLY52, VAL57, ALA70, LYS72, VAL104 and 13 more
- 3OW4 · Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan AKT inhibitors · SMY A1 · binds LEU156, GLY157, LYS158, GLY159, GLY162, LYS163, VAL164, ALA177 and 13 more
Residues it binds most
GLU 6, GLY 6, LYS 6, LEU 6, THR 6, ALA 6, MET 6, VAL 6, TYR 6, ARG 6 (residue and the binding sites it lines).
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