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Ligand · JFU

JFU · ~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl) benzenesulfonamide

JFU, ~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl) benzenesulfonamide (C23 H23 F2 N5 O3 S, 487.5 g/mol), in the MolNFT structures on…

Component
JFU
Formula
C23 H23 F2 N5 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

JFU in 2 structures; the first of them:

  • 7WL4 · Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor… · JFU A201 · binds PHE79, ASP145, LEU148, MET149, TRP81, PRO82, PHE83, VAL87 and 9 more
  • 7WL4 · Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor… · JFU A201 · binds PHE79, ASP145, MET149, TRP81, PRO82, PHE83, VAL87, LEU92 and 7 more

Residues it binds most

LEU 8, ASP 8, MET 8, PHE 8, TYR 6, ASN 8, ILE 8, PRO 8, TRP 8, VAL 8 (residue and the binding sites it lines).

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