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Ligand · 4YM

4YM · ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

4YM, ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (C21 H22 N6 O3, 406.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
4YM
Formula
C21 H22 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

4YM in 2 structures; the first of them:

  • 2YM4 · Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors · 4YM A1271 · binds LEU15, GLY16, GLU17, VAL23, ALA36, LYS38, GLU55, VAL68 and 11 more
  • 2YM4 · Crystal structure of checkpoint kinase 1 (CHK1) in complex with inhibitors · 4YM A1271 · binds LEU15, GLY16, GLU17, VAL23, ALA36, LYS38, GLU55, VAL68 and 11 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol

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