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Ligand · L49

L49 · (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate

L49, (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate (C19 H14 F4 N2 O2, 378.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
L49
Formula
C19 H14 F4 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

L49 in 2 structures; the first of them:

  • 7RKR · Naegleria fowleri CYP51 (NfCYP51) complex with… · L49 A502 · binds TYR107, PHE109, MET110, PHE114, VAL119, TYR120, VAL132, VAL135 and 9 more
  • 7RKR · Naegleria fowleri CYP51 (NFCYP51) complex with (S)-1-(4-fluorophenyl)… · L49 A502 · binds TYR107, PHE109, MET110, PHE114, VAL119, TYR120, VAL132, VAL135 and 9 more

Residues it binds most

PHE 2, VAL 2, ALA 2, LEU 2, TYR 2, CYS 2, GLY 2, ILE 2, MET 2, THR 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • CA · Calcium ion

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