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Ligand · UAQ

UAQ · ~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide

UAQ, ~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide (C12 H18 N2 O2, 222.3 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, the residues it binds…

Component
UAQ
Formula
C12 H18 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

UAQ in 2 structures; the first of them:

  • 7NGO · Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound · UAQ A301 · binds LEU87, TRP103, GLY106, ILE107, PHE110, PHE114, TRP138, MET142 and 9 more
  • 7NGO · Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound · UAQ A301 · binds ILE107, PHE110, PHE114, TRP138, TRP145, THR149, ASN176, ASN179 and 4 more

Residues it binds most

TRP 2, PHE 2, ASN 2, LEU 2, GLU 2, ILE 2, THR 2, GLY 1, MET 1, TYR 1 (residue and the binding sites it lines).

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