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Ligand · HFU

HFU · 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4, 5-dihydro-2,3A1,5-triazadibenzo[cd,h]azulen-1(2H)-one

HFU, 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4, 5-dihydro-2,3A1,5-triazadibenzo[cd,h]azulen-1(2H)-one (C28 H23 N3 O4 S, 497.6 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding…

Component
HFU
Formula
C28 H23 N3 O4 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

HFU in 3 structures; the first of them:

  • 7DPO · Crystal Structure of BRD2(BD2)with Ligand ZB-BD-224 bound · HFU A501 · binds TRP370, PRO371, PHE372, PRO375, VAL376, ASP377, LEU381, LEU383 and 6 more
  • 7DPN · Crystal structure of BRD2(BD1)WITH ligand zb-bd-224 bound · HFU A201 · binds TRP97, PRO98, PHE99, GLN101, VAL103, LYS107, LEU108, LEU110 and 4 more
  • 7DPO · Crystal structure of BRD2(BD2)WITH ligand zb-bd-224 bound · HFU A501 · binds TRP370, PRO371, PHE372, PRO375, VAL376, ASP377, LEU381, LEU383 and 4 more

Residues it binds most

LEU 4, PRO 4, ASN 4, MET 4, PHE 4, TRP 4, TYR 3, VAL 4, ASP 2, CYS 2 (residue and the binding sites it lines).

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