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Ligand · T3H

T3H · (2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide

T3H, (2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide (C25 H30 N10 O, 486.6 g/mol), in the MolNFT structures on GenesisL1…

Component
T3H
Formula
C25 H30 N10 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

T3H in 2 structures; the first of them:

  • 7B82 · BAZ2A bromodomain in complex with triazole compound MS04-TN03 · T3H A1901 · binds TRP1816, PRO1817, PHE1818, VAL1822, LEU1826, VAL1827, TYR1830, PHE1872 and 2 more
  • 7B82 · BAZ2A bromodomain in complex with triazole compound MS04-TN03 · T3H A1901 · binds TRP1816, PRO1817, PHE1818, VAL1822, LEU1826, VAL1827, TYR1830, PHE1872 and 2 more

Residues it binds most

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

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