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Ligand · TU1

TU1 · 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide

TU1, 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide (C29 H21 F3 N4 O2, 514.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
TU1
Formula
C29 H21 F3 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

TU1 in 2 structures; the first of them:

  • 4BMM · Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor… · TU1 A1460 · binds PHE48, TYR103, MET106, PHE110, TYR116, PRO210, VAL213, PHE214 and 12 more
  • 4BMM · Crystal structure of trypanosoma cruzi CYP51 bound to the inhibitor… · TU1 A1460 · binds PHE48, TYR103, MET106, PHE110, TYR116, PRO210, VAL213, PHE214 and 12 more

Residues it binds most

PHE 8, MET 8, VAL 8, ALA 8, TYR 8, LEU 8, CYS 8, PRO 4, THR 6, ILE 4 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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