Receptor
PDB id Resolution Class Description Source Keywords
2XN3 2.09 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THYROXINE-BINDING GLOBULIN COMPLEXED WITH MEFENAMIC ACID 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
ID8 A:1356;
Valid;
none;
Kd = 89 nM
241.285 C15 H15 N O2 Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XN3 2.09 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THYROXINE-BINDING GLOBULIN COMPLEXED WITH MEFENAMIC ACID 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 (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2XN3 Kd = 89 nM ID8 C15 H15 N O2 Cc1cccc(c1....
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: ID8; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 ID8 1 1
2 17C 0.627907 0.8
3 TLF 0.622642 0.833333
4 644 0.56 0.75
5 683 0.517857 0.833333
6 OFL 0.482143 0.727273
7 JMS 0.459016 0.806452
8 CJZ 0.440678 0.685714
9 ZZ8 0.423077 0.741935
10 5E4 0.416667 0.8
11 P2C 0.40625 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XN3; Ligand: ID8; 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: 2xn3.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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