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Ligand · 54R

54R · N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide

54R, N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide (C18 H21 Cl N2 O, 316.8 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…

Component
54R
Formula
C18 H21 Cl N2 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

54R in 4 structures; the first of them:

  • 5CTP · Crystal structure of CK2alpha with N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide… · 54R A402 · binds ASN118, THR119, PHE121, LEU124, LEU128, TYR136, MET137, PRO159 and 7 more
  • 5CU0 · Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and… · 54R A401 · binds ASN118, PHE121, LEU124, ILE133, TYR136, MET137, ILE140, PRO159 and 7 more
  • 5CTP · Crystal structure of CK2ALPHA with N-(3-(3-chloro-4-(phenyl) BENZYLAMINO)PROPYL)ACETAMIDE… · 54R A402 · binds ASN118, THR119, PHE121, LEU124, LEU128, TYR136, MET137, PRO159 and 7 more
  • 5CU0 · Crystal structure of CK2ALPHA with 2-hydroxy-5-methylbenzoic acid and… · 54R A401 · binds ASN118, PHE121, LEU124, ILE133, TYR136, MET137, ILE140, PRO159 and 7 more

Residues it binds most

ILE 12, MET 8, VAL 12, LEU 10, PRO 12, TYR 12, ASP 6, ASN 8, HIS 8, PHE 8 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • 54G · 2-hydroxy-5-methylbenzoic acid
  • PO4 · Phosphate ion

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