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Ligand · XJP

XJP · (2S,4R)-1,3-thiazolidine-2,4-diamine

XJP, (2S,4R)-1,3-thiazolidine-2,4-diamine (C3 H9 N3 S, 119.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
XJP
Formula
C3 H9 N3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

XJP in 2 structures; the first of them:

  • 5S7Y · XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010933a · XJP B505 · binds ILE321, ILE323, VAL376, GLU389, PHE441
  • 5S7Y · Xchem group deposition -- crystal structure of human ACVR1 in complex with FM010933A · XJP B505 · binds VAL376, GLU389, PHE441

Residues it binds most

ASN 6, GLN 4, GLU 6, ASP 4, ILE 3, VAL 4, ARG 2, PHE 2, TRP 2, MET 1 (residue and the binding sites it lines).

Found with

  • LU8 · 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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