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Ligand · B84

B84 · (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide

B84, (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide (C26 H33 N5 O4 S2, 543.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
B84
Formula
C26 H33 N5 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

B84 in 2 structures; the first of them:

  • 3IMX · Crystal Structure of human glucokinase in complex with a synthetic activator · B84 A466 · binds TYR61, VAL62, ARG63, SER64, PRO66, SER69, GLU70, VAL91 and 15 more
  • 3IMX · Crystal structure of human glucokinase in complex with a synthetic activator · B84 A466 · binds TYR61, VAL62, ARG63, SER64, PRO66, SER69, GLU70, VAL91 and 15 more

Residues it binds most

VAL 2, TYR 2, ALA 2, ARG 2, ILE 2, MET 2, SER 2, GLU 2, HIS 2, LEU 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • GLC · alpha-D-glucopyranose

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