Receptor
PDB id Resolution Class Description Source Keywords
1M48 1.95 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF HUMAN IL-2 COMPLEXED WITH (R)-N-[2-[1- (AMINOIMINOMETHYL)-3-PIPERIDINYL]-1-OXOETHYL]-4-(PHENYLETHYP HENYLALANINE METHYL ESTER HOMO SAPIENS INTERLEUKIN-2 FOUR-HELIX BUNDLE SMALL MOLECULE COMPLEX CY
Ref.: BINDING OF SMALL MOLECULES TO AN ADAPTIVE PROTEIN-P INTERFACE PROC.NATL.ACAD.SCI.USA V. 100 1603 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FRG A:301;
B:302;
 Valid;
Valid;
 none;
none;
 Kd = 8.2 uM
446.541 C26 H30 N4 O3 [H]/N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M48 1.95 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF HUMAN IL-2 COMPLEXED WITH (R)-N-[2-[1- (AMINOIMINOMETHYL)-3-PIPERIDINYL]-1-OXOETHYL]-4-(PHENYLETHYP HENYLALANINE METHYL ESTER HOMO SAPIENS INTERLEUKIN-2 FOUR-HELIX BUNDLE SMALL MOLECULE COMPLEX CY
Ref.: BINDING OF SMALL MOLECULES TO AN ADAPTIVE PROTEIN-P INTERFACE PROC.NATL.ACAD.SCI.USA V. 100 1603 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1M48 Kd = 8.2 uM FRG C26 H30 N4 O3 [H]/N=C(/N....
2 1M49 - CMM C30 H35 N5 O6 [H]/N=C(/N....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 1M48 Kd = 8.2 uM FRG C26 H30 N4 O3 [H]/N=C(/N....
2 1M49 - CMM C30 H35 N5 O6 [H]/N=C(/N....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 1M48 Kd = 8.2 uM FRG C26 H30 N4 O3 [H]/N=C(/N....
2 1M49 - CMM C30 H35 N5 O6 [H]/N=C(/N....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FRG; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FRG 1 1
2 CMM 0.521368 0.823529
Similar Ligands (3D)
Ligand no: 1; Ligand: FRG; 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 : 1M48; Ligand: FRG; 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: 1m48.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1M48; Ligand: FRG; 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: 1m48.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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