Receptor
PDB id Resolution Class Description Source Keywords
2CV3 1.9 Å EC: 3.4.21.36 CRYSTAL STRUCTURE OF PORCINE PANCREATIC ELASTASE COMPLEXED W MACROCLYCLIC PEPTIDE INHIBITOR SUS SCROFA PROTEIN-INHIBITOR INTERACTION MACROCYCLIC PEPTIDE HYDROLASHYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURE OF THE COMPLEX OF PORCINE PANCREATIC ELAS A TRIMACROCYCLIC PEPTIDE INHIBITOR FR901451 ACTA CRYSTALLOGR.,SECT.F V. 61 808 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
THR THR LEU LYS PHE PRO SER ASP TRP ASP ASP B:256;
 Valid;
 none;
 ic50 = 0.27 uM
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CV3 1.9 Å EC: 3.4.21.36 CRYSTAL STRUCTURE OF PORCINE PANCREATIC ELASTASE COMPLEXED W MACROCLYCLIC PEPTIDE INHIBITOR SUS SCROFA PROTEIN-INHIBITOR INTERACTION MACROCYCLIC PEPTIDE HYDROLASHYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURE OF THE COMPLEX OF PORCINE PANCREATIC ELAS A TRIMACROCYCLIC PEPTIDE INHIBITOR FR901451 ACTA CRYSTALLOGR.,SECT.F V. 61 808 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2CV3 ic50 = 0.27 uM THR THR LEU LYS PHE PRO SER ASP TRP ASP ASP n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2CV3 ic50 = 0.27 uM THR THR LEU LYS PHE PRO SER ASP TRP ASP ASP n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2CV3 ic50 = 0.27 uM THR THR LEU LYS PHE PRO SER ASP TRP ASP ASP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: THR THR LEU LYS PHE PRO SER ASP TRP ASP ASP; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: THR THR LEU LYS PHE PRO SER ASP TRP ASP ASP; Similar ligands found: 1
No: Ligand Similarity coefficient
1 THR THR LEU LYS PHE PRO SER ASP TRP ASP ASP 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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