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Ligand · JFR

JFR · 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one

JFR, 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one (C33 H34 F N3 O4, 555.6 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records…

Component
JFR
Formula
C33 H34 F N3 O4
Class
ligand
Structures
3
PDB entries
2

Binding sites

JFR in 3 structures; the first of them:

  • 7WLN · Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor… · JFR A501 · binds TRP370, PRO371, PHE372, PRO375, VAL376, ASP377, LEU381, LEU383 and 8 more
  • 7WKY · Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor… · JFR A201 · binds TRP81, PRO82, PHE83, GLN85, PRO86, VAL87, ASP88, LEU92 and 5 more
  • 7WLN · Crystal structure of the second bromodomain of human BRD2 in complex with the inhibitor… · JFR A501 · binds TRP370, PRO371, PHE372, PRO375, VAL376, ASP377, LEU381, LEU383 and 7 more

Residues it binds most

PRO 11, LEU 11, VAL 11, ASP 11, TRP 11, ASN 11, PHE 11, MET 9, CYS 8, HIS 7 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • DMS · Dimethyl sulfoxide
  • PEG · Di(hydroxyethyl)ether

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