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Ligand · XKD

XKD · N-methyl-D-alaninamide

XKD, N-methyl-D-alaninamide (C4 H10 N2 O, 102.1 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 found with it.

Component
XKD
Formula
C4 H10 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

XKD in 2 structures; the first of them:

  • 5S87 · XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010953a · XKD B505 · binds TYR219, VAL222, LYS235, LYS340, ASN341, ASP354
  • 5S87 · Xchem group deposition -- crystal structure of human ACVR1 in complex with FM010953A · XKD B505 · binds TYR219, VAL222, LYS235, ASN341, ASP354

Residues it binds most

LYS 2, ASN 2, ASP 2, TYR 2, VAL 2 (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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