Receptor
PDB id Resolution Class Description Source Keywords
2XN5 1.7 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THYROXINE-BINDING GLOBULIN COMPLEXED WITH FUROSEMIDE HOMO SAPIENS TRANSPORT CLEAVED PROTEIN
Ref.: ALLOSTERIC MODULATION OF HORMONE RELEASE FROM THYROXINE AND CORTICOSTEROID BINDING-GLOBULINS. J.BIOL.CHEM. V. 286 16163 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1357;
A:1358;
A:1362;
A:1364;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
EDO A:1359;
A:1360;
A:1361;
A:1363;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FUN A:1356;
Valid;
none;
Kd = 123 nM
330.744 C12 H11 Cl N2 O5 S c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XN5 1.7 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THYROXINE-BINDING GLOBULIN COMPLEXED WITH FUROSEMIDE HOMO SAPIENS TRANSPORT CLEAVED PROTEIN
Ref.: ALLOSTERIC MODULATION OF HORMONE RELEASE FROM THYROXINE AND CORTICOSTEROID BINDING-GLOBULINS. J.BIOL.CHEM. V. 286 16163 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2XN6 - F6Y T44 n/a n/a
2 2XN7 - T44 F6Z n/a n/a
3 2XN5 Kd = 123 nM FUN C12 H11 Cl N2 O5 S c1cc(oc1)C....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2XN6 - F6Y T44 n/a n/a
2 2XN7 - T44 F6Z n/a n/a
3 2XN5 Kd = 123 nM FUN C12 H11 Cl N2 O5 S c1cc(oc1)C....
4 2XN3 Kd = 89 nM ID8 C15 H15 N O2 Cc1cccc(c1....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2XN6 - F6Y T44 n/a n/a
2 2XN7 - T44 F6Z n/a n/a
3 2XN5 Kd = 123 nM FUN C12 H11 Cl N2 O5 S c1cc(oc1)C....
4 2XN3 Kd = 89 nM ID8 C15 H15 N O2 Cc1cccc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FUN 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XN5; Ligand: FUN; 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: 2xn5.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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