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Ligand · DXV

DXV · 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid

DXV, 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid (C25 H22 N2 O2, 382.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
DXV
Formula
C25 H22 N2 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

DXV in 2 structures; the first of them:

  • 6BKU · Crystal structure of the human CAMKK2B bound to GSK650394 · DXV A501 · binds ILE171, LYS173, GLY174, TYR176, VAL179, ALA192, LYS194, GLU236 and 10 more
  • 6CD6 · Crystal structure of the human CAMKK1A in complex with GSK650394 · DXV A501 · binds ILE134, GLY135, LYS136, GLY137, TYR139, VAL142, ALA155, LYS157 and 10 more

Residues it binds most

GLY 5, LEU 5, LYS 5, ASP 5, VAL 5, ALA 5, ASN 5, ILE 5, PHE 5, PRO 5 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • FMT · Formic acid

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