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Ligand · JV0

JV0 · 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine

JV0, 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine (C25 H30 N2 S2, 422.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
JV0
Formula
C25 H30 N2 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JV0 in 2 structures; the first of them:

  • 4APN · Structure of TR from Leishmania infantum in complex with a diarylpirrole-based inhibitor · JV0 B1491 · binds GLY13, SER14, LEU17, GLU18, TRP21, TYR110, SER394, SER395 and 2 more
  • 4APN · Structure of tr from leishmania infantum in complex with a diarylpirrole-based inhibitor · JV0 B1491 · binds GLY13, SER14, LEU17, GLU18, TRP21, TYR110, SER394, SER395 and 2 more

Residues it binds most

SER 8, GLU 4, LEU 8, TYR 8, PHE 6, VAL 4, CYS 4, HIS 4, ILE 4, MET 4 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate

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