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Ligand · 7CP

7CP · (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile

7CP, (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile (C18 H18 Cl2 N4 O, 377.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component
7CP
Formula
C18 H18 Cl2 N4 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

7CP in 4 structures; the first of them:

  • 3BHY · Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with a… · 7CP A600 · binds LEU19, GLY20, SER21, ALA25, VAL27, ALA40, LYS42, ILE77 and 10 more
  • 3CXW · Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with… · 7CP A501 · binds LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, ILE104, LEU120 and 11 more
  • 3BHY · Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with a… · 7CP A600 · binds LEU19, GLY20, SER21, ALA25, VAL27, ALA40, LYS42, ILE77 and 10 more
  • 3CXW · Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with… · 7CP A501 · binds LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, ILE104, LEU120 and 11 more

Residues it binds most

GLU 4, LEU 4, ILE 4, LYS 4, VAL 4, ALA 4, ASN 4, ASP 4, GLY 4, SER 4 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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