Ligand · NJO

NJO · (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl) propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl) ethyl]propanamide

NJO, (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl) propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl) ethyl]propanamide (C33 H36 N4 O2 S, 552.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component: NJO
Formula: C33 H36 N4 O2 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

NJO in 2 structures; the first of them:

7UFC · Human CYP3A4 bound to an inhibitor · NJO A602 · binds PHE57, ASP76, ARG105, ARG106, PHE108, SER119, ARG212, PHE213 and 8 more
7UFC · Human CYP3A4 bound to an inhibitor · NJO A602 · binds PHE57, ASP76, ARG105, ARG106, PHE108, SER119, ARG212, PHE213 and 8 more

Residues it binds most

PHE 2, ARG 2, THR 2, ALA 2, ASP 2, CYS 2, GLU 2, ILE 2, SER 2 (residue and the binding sites it lines).

Found with

HEM · Protoporphyrin IX containing Fe

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