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Ligand · XDM

XDM · ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide

XDM, ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide (C17 H19 Cl N2 O2, 318.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues…

Component
XDM
Formula
C17 H19 Cl N2 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

XDM in 2 structures; the first of them:

  • 5LPJ · Crystal structure of the bromodomain of human crebbp bound to the inhibitor XDM1 · XDM A1201 · binds PRO1110, PHE1111, VAL1115, LEU1120, ILE1122, TYR1125, TYR1167, ASN1168 and 3 more
  • 5LPK · Crystal structure of the bromodomain of human EP300 bound to the inhibitor XDM1 · XDM A1201 · binds PRO1074, PHE1075, VAL1079, LEU1084, ILE1086, TYR1089, TYR1131, ASN1132 and 3 more

Residues it binds most

TYR 8, LEU 8, VAL 8, ARG 8, PHE 8, PRO 8, ASN 8, ILE 8, GLN 5, ASP 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • PG4 · Tetraethylene glycol

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