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Ligand · 551

551 · methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate

551, methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate (C20 H23 Cl N2 O3, 374.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
551
Formula
C20 H23 Cl N2 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

551 in 4 structures; the first of them:

  • 5CU2 · Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and (methyl… · 551 A401 · binds LEU45, GLY46, VAL53, ASN118, PHE121, LEU128, ILE133, TYR136 and 10 more
  • 5CX9 · Crystal structure of CK2alpha with (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)am… · 551 A405 · binds LEU45, GLY46, VAL53, ASN118, PHE121, TYR125, ILE133, TYR136 and 10 more
  • 5CU2 · Crystal structure of CK2ALPHA with 2-hydroxy-5-methylbenzoic acid and (methyl… · 551 A401 · binds LEU45, GLY46, VAL53, ASN118, PHE121, LEU128, ILE133, TYR136 and 10 more
  • 5CX9 · Crystal structure of CK2ALPHA with (methyl 4-((3-(3-chloro-4-(phenyl)… · 551 A405 · binds LEU45, GLY46, VAL53, ASN118, PHE121, TYR125, ILE133, TYR136 and 10 more

Residues it binds most

ILE 16, MET 8, VAL 16, LEU 16, GLN 12, TYR 16, PRO 16, ASP 8, ASN 12, HIS 12 (residue and the binding sites it lines).

Found with

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

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