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Ligand · JGU

JGU · 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one

JGU, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one (C33 H31 F2 N O6, 575.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
JGU
Formula
C33 H31 F2 N O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

JGU in 2 structures; the first of them:

  • 7WNI · Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor… · JGU A501 · binds TRP370, PRO371, PHE372, PRO375, VAL376, ASP377, LEU381, LEU383 and 7 more
  • 7WNI · Crystal structure of the second bromodomain of human BRD2 in complex with the inhibitor… · JGU A501 · binds TRP370, PRO371, PHE372, PRO375, VAL376, ASP377, LEU381, LEU383 and 5 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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