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Ligand · Y27

Y27 · (R)-trans-4-(1-aminoethyl)-N-(4-pyridyl) cyclohexanecarboxamide

Y27, (R)-trans-4-(1-aminoethyl)-N-(4-pyridyl) cyclohexanecarboxamide (C14 H21 N3 O, 247.3 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
Y27
Formula
C14 H21 N3 O
Class
ligand
Structures
10
PDB entries
5

Binding sites

Y27 in 10 structures; the first of them:

  • 1Q8T · The Catalytic Subunit of cAMP-dependent Protein Kinase (PKA) in Complex with Rho-kinase… · Y27 A930 · binds LEU49, THR51, GLY52, VAL57, ALA70, MET120, GLU121, TYR122 and 8 more
  • 2ETR · Crystal Structure of ROCK I bound to Y-27632 · Y27 A416 · binds ILE82, VAL90, ALA103, LYS105, MET153, GLU154, TYR155, MET156 and 7 more
  • 2GNF · Protein kinase A fivefold mutant model of Rho-kinase with Y-27632 · Y27 A501 · binds ILE49, VAL57, ALA70, VAL104, MET120, GLU121, TYR122, MET123 and 8 more
  • 2GNJ · PKA three fold mutant model of Rho-kinase with Y-27632 · Y27 A501 · binds ILE49, THR51, GLY52, SER53, VAL57, ALA70, VAL104, MET120 and 11 more
  • 2H9V · Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y27632 · Y27 A500 · binds ILE98, PHE103, VAL106, ALA119, LYS121, MET169, GLU170, TYR171 and 8 more
  • 1Q8T · The catalytic subunit of camp-dependent protein kinase (PKA) in complex with rho-kinase… · Y27 A930 · binds LEU49, THR51, GLY52, VAL57, ALA70, MET120, GLU121, TYR122 and 8 more
  • 2ETR · Crystal structure of rock I bound to Y-27632 · Y27 A416 · binds ILE82, VAL90, ALA103, LYS105, MET153, GLU154, TYR155, MET156 and 7 more
  • 2GNF · Protein kinase a fivefold mutant model of rho-kinase with Y-27632 · Y27 A501 · binds ILE49, VAL57, ALA70, VAL104, MET120, GLU121, TYR122, MET123 and 8 more
  • 2GNJ · PKA three fold mutant model of rho-kinase with Y-27632 · Y27 A501 · binds ILE49, THR51, GLY52, SER53, VAL57, ALA70, VAL104, MET120 and 11 more
  • 2H9V · Structural basis for induced-fit binding of rho-kinase to the inhibitor Y27632 · Y27 A500 · binds ILE98, PHE103, VAL106, ALA119, LYS121, MET169, GLU170, TYR171 and 8 more

Residues it binds most

ALA 12, ASP 12, MET 12, VAL 12, GLU 12, LYS 12, LEU 12, PHE 12, ASN 12, TYR 12 (residue and the binding sites it lines).

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