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Ligand · MB9

MB9 · (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile

MB9, (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile (C17 H17 Cl N4 O, 328.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
MB9
Formula
C17 H17 Cl N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

MB9 in 2 structures; the first of them:

  • 3CY2 · Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with… · MB9 A501 · binds LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, ILE104, LEU120 and 8 more
  • 3CY2 · Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with… · MB9 A501 · binds LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, ILE104, LEU120 and 8 more

Residues it binds most

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

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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