Ligand · EEH

EEH · N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide

EEH, N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide (C33 H40 N4 O4 S, 588.8 g/mol), in the MolNFT…

Component: EEH
Formula: C33 H40 N4 O4 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

EEH in 2 structures; the first of them:

5G0S · InhA in complex with a DNA encoded library hit · EEH B1271 · binds GLY96, PHE97, MET98, PRO99, GLN100, MET103, PHE149, ALA157 and 7 more
5G0S · Inha in complex with a DNA encoded library hit · EEH B1271 · binds GLY96, PHE97, MET98, PRO99, GLN100, MET103, PHE149, ALA157 and 7 more

Residues it binds most

MET 4, ALA 4, PHE 4, GLN 4, GLY 4, ILE 4, PRO 4, TYR 4, LEU 2 (residue and the binding sites it lines).

Found with

NAD · Nicotinamide-adenine-dinucleotide

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