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Ligand · 06X

06X · Amlodipine

06X, Amlodipine (C20 H25 Cl N2 O5, 408.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
06X
Formula
C20 H25 Cl N2 O5
Class
ligand
Structures
4
PDB entries
2

Binding sites

06X in 4 structures; the first of them:

  • 3TMZ · Crystal Structure of P450 2B4(H226Y) in complex with Amlodipine · 06X A503 · binds ILE101, ILE114, PHE115, PHE206, ILE209, SER210, PHE297, ALA298 and 8 more
  • 3UA5 · Crystal Structure of P450 2B6 (Y226H/K262R) in complex with two molecules of Amlodipine · 06X A501 · binds ILE101, ILE114, PHE115, PHE206, ILE209, SER210, PHE297, ALA298 and 7 more
  • 3TMZ · Crystal structure of P450 2B4(H226Y) in complex with amlodipine · 06X A503 · binds ILE101, ILE114, PHE115, PHE206, ILE209, SER210, PHE297, ALA298 and 8 more
  • 3UA5 · Crystal structure of P450 2B6 (Y226H/K262R) in complex with two molecules of amlodipine · 06X A501 · binds ILE101, ILE114, PHE115, PHE206, ILE209, SER210, PHE297, ALA298 and 7 more

Residues it binds most

PHE 12, ILE 8, LEU 10, GLU 12, VAL 12, ARG 6, GLY 10, THR 6, ALA 6, GLN 6 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • CM5 · 5-cyclohexyl-1-pentyl-beta-D-maltoside

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