Receptor
PDB id Resolution Class Description Source Keywords
4PFC 2.21 Å EC: 3.4.24.56 CRYSTAL STRUCTURE OF INSULIN DEGRADING ENZYME COMPLEXED WITH HOMO SAPIENS HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: DUAL EXOSITE-BINDING INHIBITORS OF INSULIN-DEGRADIN CHALLENGE ITS ROLE AS THE PRIMARY MEDIATOR OF INSUL CLEARANCE IN VIVO. J.BIOL.CHEM. V. 290 20044 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:1102;
B:1102;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
2QX A:1101;
B:1101;
Valid;
Valid;
none;
none;
ic50 = 4 nM
735.929 C44 H54 F N5 O4 COC(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PFC 2.21 Å EC: 3.4.24.56 CRYSTAL STRUCTURE OF INSULIN DEGRADING ENZYME COMPLEXED WITH HOMO SAPIENS HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: DUAL EXOSITE-BINDING INHIBITORS OF INSULIN-DEGRADIN CHALLENGE ITS ROLE AS THE PRIMARY MEDIATOR OF INSUL CLEARANCE IN VIVO. J.BIOL.CHEM. V. 290 20044 2015
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4PF9 ic50 = 4 nM 2Q6 C44 H55 N5 O5 COC(=O)NC[....
2 4PFC ic50 = 4 nM 2QX C44 H54 F N5 O4 COC(=O)NC[....
3 4PF7 ic50 = 2000 nM 2QW C20 H31 N3 O2 Se Cc1ccc(cc1....
4 3CWW - ALA PRO PRO ALA n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4PF9 ic50 = 4 nM 2Q6 C44 H55 N5 O5 COC(=O)NC[....
2 4PFC ic50 = 4 nM 2QX C44 H54 F N5 O4 COC(=O)NC[....
3 4PF7 ic50 = 2000 nM 2QW C20 H31 N3 O2 Se Cc1ccc(cc1....
4 3CWW - ALA PRO PRO ALA n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4PF9 ic50 = 4 nM 2Q6 C44 H55 N5 O5 COC(=O)NC[....
2 4PFC ic50 = 4 nM 2QX C44 H54 F N5 O4 COC(=O)NC[....
3 4PF7 ic50 = 2000 nM 2QW C20 H31 N3 O2 Se Cc1ccc(cc1....
4 3CWW - ALA PRO PRO ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2QX; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 2QX 1 1
2 2Q6 0.726027 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PFC; Ligand: 2QX; 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: 4pfc.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4PFC; Ligand: 2QX; 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: 4pfc.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback