Receptor
PDB id Resolution Class Description Source Keywords
2AZ5 2.1 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF TNF-ALPHA WITH A SMALL MOLECULE INHIBIT HOMO SAPIENS TNF-ALPHA TRIMER DISRUPTION BY BINDING OF A SMALL MOLECULE ICYTOKINE
Ref.: SMALL-MOLECULE INHIBITION OF TNF-ALPHA. SCIENCE V. 310 1022 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
307 A:1;
C:2;
Valid;
Valid;
none;
none;
ic50 = 22 uM
547.611 C32 H32 F3 N3 O2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AZ5 2.1 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF TNF-ALPHA WITH A SMALL MOLECULE INHIBIT HOMO SAPIENS TNF-ALPHA TRIMER DISRUPTION BY BINDING OF A SMALL MOLECULE ICYTOKINE
Ref.: SMALL-MOLECULE INHIBITION OF TNF-ALPHA. SCIENCE V. 310 1022 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 2AZ5 ic50 = 22 uM 307 C32 H32 F3 N3 O2 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 2AZ5 ic50 = 22 uM 307 C32 H32 F3 N3 O2 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 2AZ5 ic50 = 22 uM 307 C32 H32 F3 N3 O2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 307; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 307 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AZ5; Ligand: 307; 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: 2az5.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2AZ5; Ligand: 307; 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: 2az5.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback