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Ligand · 5BW

5BW · (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one

5BW, (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one (C19 H19 N3 O2, 321.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its…

Component
5BW
Formula
C19 H19 N3 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

5BW in 2 structures; the first of them:

  • 5DKC · Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with PFI-3… · 5BW A1502 · binds VAL1408, PHE1409, LEU1412, PRO1413, GLU1417, LEU1418, TYR1421, VAL1429 and 5 more
  • 5DKD · Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3… · 5BW A1605 · binds VAL1484, PHE1485, LEU1488, PRO1489, LEU1494, TYR1497, VAL1505, ASP1506 and 6 more

Residues it binds most

LEU 3, ASN 3, VAL 3, PHE 3, ALA 3, ILE 3, PRO 3, TYR 3, ASP 1, GLU 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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