Ligand · JDD

JDD · N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)ethanamide

JDD, N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)ethanamide (C24 H28 N6 O2, 432.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component: JDD
Formula: C24 H28 N6 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

JDD in 2 structures; the first of them:

5G0V · InhA in complex with a DNA encoded library hit · JDD B1271 · binds ILE16, PHE41, ASP42, ARG43, GLY96, PHE97, MET98, PRO99 and 9 more
5G0V · Inha in complex with a DNA encoded library hit · JDD B1271 · binds ILE16, PHE41, ASP42, ARG43, GLY96, PHE97, MET98, PRO99 and 9 more

Residues it binds most

MET 2, PHE 2, ALA 2, ARG 2, ASP 2, GLN 2, GLY 2, ILE 2, LYS 2, PRO 2 (residue and the binding sites it lines).

Found with

NAD · Nicotinamide-adenine-dinucleotide
MG · Magnesium ion

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