Ligand · SMR

SMR · N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide

SMR, N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide (C29 H40 N4 O5 S, 556.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component: SMR
Formula: C29 H40 N4 O5 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

SMR in 2 structures; the first of them:

3QKL · Spirochromane Akt Inhibitors · SMR A1 · binds LEU156, GLY157, LYS158, GLY159, THR160, PHE161, GLY162, LYS163 and 18 more
3QKL · Spirochromane AKT inhibitors · SMR A1 · binds LEU156, GLY157, LYS158, GLY159, THR160, PHE161, GLY162, LYS163 and 18 more

Residues it binds most

GLU 2, THR 2, GLY 2, LYS 2, ALA 2, LEU 2, MET 2, PHE 2, ASN 2, ASP 2 (residue and the binding sites it lines).

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