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Ligand · B5S

B5S · 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium

B5S, 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium (C23 H26 N3 O4 +1, 408.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
B5S
Formula
C23 H26 N3 O4 +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

B5S in 2 structures; the first of them:

  • 4UMQ · Structure of MELK in complex with inhibitors · B5S A1334 · binds ILE17, GLY18, VAL25, LEU27, ALA38, LYS40, GLU57, LEU61 and 12 more
  • 4UMQ · Structure of melk in complex with inhibitors · B5S A1334 · binds ILE17, GLY18, VAL25, LEU27, ALA38, LYS40, GLU57, LEU61 and 12 more

Residues it binds most

LEU 2, GLU 2, CYS 2, ILE 2, ALA 2, ASP 2, GLY 2, LYS 2, MET 2, PHE 2 (residue and the binding sites it lines).

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