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Ligand · BAE

BAE · N-methyltrimethylacetamide

BAE, N-methyltrimethylacetamide (C6 H13 N O, 115.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
BAE
Formula
C6 H13 N O
Class
ligand
Structures
4
PDB entries
2

Binding sites

BAE in 4 structures; the first of them:

  • 4IOO · Crystal Structure of the first bromodomain of BRD4 in complex with… · BAE A306 · binds PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, CYS136, TYR139 and 2 more
  • 5E9M · Crystal Structure of BAZ2B bromodomain in complex with N-methyltrimethylacetamide · BAE A2001 · binds PRO1888, PHE1889, VAL1893, VAL1898, TYR1901, PHE1943, ASN1944, ILE1950
  • 4IOO · Crystal structure of the first bromodomain of BRD4 in complex with N… · BAE A306 · binds PRO82, PHE83, VAL87, LEU92, LEU94, TYR97, CYS136, TYR139 and 2 more
  • 5E9M · Crystal structure of BAZ2B bromodomain in complex with N- methyltrimethylacetamide · BAE A2001 · binds PRO1888, PHE1889, VAL1893, VAL1898, TYR1901, PHE1943, ASN1944, ILE1950

Residues it binds most

PHE 4, TYR 4, VAL 4, ASN 4, ILE 4, LEU 2, PRO 4, CYS 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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