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Ligand · JGR

JGR · ~{N}-[4-(4-fluoranyl-2,6-dimethyl-phenoxy)-3-[2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide

JGR, ~{N}-[4-(4-fluoranyl-2,6-dimethyl-phenoxy)-3-[2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide (C34 H35 F N2 O7 S, 634.7 g/mol), in the MolNFT structures on…

Component
JGR
Formula
C34 H35 F N2 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

JGR in 2 structures; the first of them:

  • 7WNA · Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor… · JGR A501 · binds TRP370, PRO371, PHE372, LYS374, PRO375, VAL376, ASP377, LEU381 and 11 more
  • 7WNA · Crystal structure of the second bromodomain of human BRD2 in complex with the inhibitor… · JGR A501 · binds TRP370, PRO371, PHE372, LYS374, PRO375, VAL376, ASP377, LEU381 and 11 more

Residues it binds most

ASP 12, LEU 12, MET 12, PRO 12, TRP 12, VAL 12, TYR 12, ALA 12, ASN 12, CYS 12 (residue and the binding sites it lines).

Found with

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

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