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Ligand · AT2

AT2 · Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate

AT2, Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate (C14 H21 N3 O2, 263.3 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
AT2
Formula
C14 H21 N3 O2
Class
ligand
Structures
8
PDB entries
4

Binding sites

AT2 in 8 structures; the first of them:

  • 3E7G · Structure of human INOSOX with inhibitor AR-C95791 · AT2 A906 · binds GLN263, ILE265, ARG266, TYR347, PRO350, ALA351, VAL352, PHE369 and 7 more
  • 3E7M · Structure of murine iNOS oxygenase domain with inhibitor AR-C95791 · AT2 A906 · binds GLN257, ILE259, ARG260, TYR341, PRO344, ALA345, VAL346, PHE363 and 7 more
  • 3E7S · Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791 · AT2 A904 · binds GLN246, PRO333, VAL335, PHE352, SER353, GLY354, TRP355, TYR356 and 3 more
  • 3NQS · Crystal Structure of Inducible Nitric Oxide Synthase with N-Nitrosated-pterin · AT2 A906 · binds GLN257, ILE259, ARG260, TYR341, PRO344, ALA345, VAL346, PHE363 and 7 more
  • 3E7G · Structure of human inosox with inhibitor ar-C95791 · AT2 A906 · binds GLN263, ILE265, ARG266, TYR347, PRO350, ALA351, VAL352, PHE369 and 7 more
  • 3E7M · Structure of murine inos oxygenase domain with inhibitor ar-C95791 · AT2 A906 · binds GLN257, ILE259, ARG260, TYR341, PRO344, ALA345, VAL346, PHE363 and 7 more
  • 3E7S · Structure of bovine enos oxygenase domain with inhibitor ar- C95791 · AT2 A904 · binds GLN246, PRO333, VAL335, PHE352, SER353, GLY354, TRP355, TYR356 and 3 more
  • 3NQS · Crystal structure of inducible nitric oxide synthase with N- nitrosated-pterin · AT2 A906 · binds GLN257, ILE259, ARG260, TYR341, PRO344, ALA345, VAL346, PHE363 and 7 more

Residues it binds most

TYR 20, ARG 20, TRP 24, PHE 24, VAL 24, ALA 20, GLN 20, GLU 20, GLY 20, PRO 20 (residue and the binding sites it lines).

Found with

  • H4B · 5,6,7,8-tetrahydrobiopterin
  • HEM · Protoporphyrin IX containing Fe
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol
  • HEC · Heme C
  • NO · Nitric oxide
  • SO4 · Sulfate ion
  • BOG · octyl beta-D-glucopyranoside
  • GOL · Glycerol

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