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Ligand · 7CS

7CS · (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate

7CS, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate (C16 H19 N3 O2, 285.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
7CS
Formula
C16 H19 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

7CS in 2 structures; the first of them:

  • 2QHM · crystal structure of Chek1 in complex with inhibitor 2a · 7CS A500 · binds LEU15, VAL23, ALA36, VAL68, LEU84, GLU85, TYR86, CYS87 and 6 more
  • 2QHM · Crystal structure of CHEK1 in complex with inhibitor 2A · 7CS A500 · binds LEU15, VAL23, ALA36, VAL68, LEU84, GLU85, TYR86, CYS87 and 6 more

Residues it binds most

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

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