Receptor
PDB id Resolution Class Description Source Keywords
4ZTE 2.13 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN E-CADHERIN (RESIDUES 3-213) IN CO A PEPTIDOMIMETIC INHIBITOR HOMO SAPIENS ADHESION CADHERIN CALCIUM-BINDING PROTEIN X-DIMER INHIBIPEPTIDOMIMETIC CELL ADHESION
Ref.: CRYSTAL STRUCTURE OF HUMAN E-CADHERIN-EC1EC2 IN COM A PEPTIDOMIMETIC COMPETITIVE INHIBITOR OF CADHERIN HOMOPHILIC INTERACTION. J.MED.CHEM. V. 59 5089 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:402;
B:401;
A:403;
B:403;
A:401;
A:402;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
4RL A:404;
B:404;
 Valid;
Valid;
 none;
none;
 submit data
574.669 C28 H42 N6 O7 CC[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZTE 2.13 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN E-CADHERIN (RESIDUES 3-213) IN CO A PEPTIDOMIMETIC INHIBITOR HOMO SAPIENS ADHESION CADHERIN CALCIUM-BINDING PROTEIN X-DIMER INHIBIPEPTIDOMIMETIC CELL ADHESION
Ref.: CRYSTAL STRUCTURE OF HUMAN E-CADHERIN-EC1EC2 IN COM A PEPTIDOMIMETIC COMPETITIVE INHIBITOR OF CADHERIN HOMOPHILIC INTERACTION. J.MED.CHEM. V. 59 5089 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4ZTE - 4RL C28 H42 N6 O7 CC[C@H](C)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4ZTE - 4RL C28 H42 N6 O7 CC[C@H](C)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4ZTE - 4RL C28 H42 N6 O7 CC[C@H](C)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4RL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4RL 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 4RL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZTE; Ligand: 4RL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4zte.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4ZTE; Ligand: 4RL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4zte.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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