Ligand · 22T

22T · 7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one

22T, 7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one (C13 H13 Cl N2 O2, 264.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component: 22T
Formula: C13 H13 Cl N2 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

22T in 2 structures; the first of them:

3ZM4 · Crystal structure of MEK1 in complex with fragment 1 · 22T A1383 · binds LEU74, GLY75, ALA76, GLY77, VAL82, ALA95, VAL127, MET143 and 10 more
3ZM4 · Crystal structure of MEK1 in complex with fragment 1 · 22T A1383 · binds LEU74, GLY75, ALA76, GLY77, VAL82, ALA95, VAL127, MET143 and 10 more

Residues it binds most

GLY 2, ALA 2, LEU 2, MET 2, SER 2, VAL 2, ASN 2, CYS 2, GLN 2, GLU 2 (residue and the binding sites it lines).

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