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Ligand · A11

A11 · Ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate

A11, Ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate (C13 H18 Cl N3 O2, 283.8 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…

Component
A11
Formula
C13 H18 Cl N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

A11 in 2 structures; the first of them:

  • 3E6L · Structure of murine INOS oxygenase domain with inhibitor AR-C132283 · A11 A906 · binds GLN257, ILE259, ARG260, TYR341, PRO344, ALA345, VAL346, PHE363 and 7 more
  • 3E6L · Structure of murine inos oxygenase domain with inhibitor ar-C132283 · A11 A906 · binds GLN257, ILE259, ARG260, TYR341, PRO344, ALA345, VAL346, PHE363 and 7 more

Residues it binds most

ARG 4, TYR 4, TRP 4, ALA 4, ASN 4, ASP 4, GLN 4, GLU 4, GLY 4, ILE 4 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion
  • BOG · octyl beta-D-glucopyranoside

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