Receptor
PDB id Resolution Class Description Source Keywords
6EIZ 1.85 Å NON-ENZYME: OTHER A DE NOVO DESIGNED HEXAMERIC COILED COIL CC-HEX2 WITH FARNES IN THE CHANNEL. SYNTHETIC CONSTRUCT ALPHA-HELICAL COILED-COIL BARREL DE NOVO PROTEIN
Ref.: DE NOVO-DESIGNED ALPHA-HELICAL BARRELS AS RECEPTORS SMALL MOLECULES. ACS SYNTH BIOL V. 7 1808 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FOF F:101;
Valid;
none;
Ki = 0.6 uM
222.366 C15 H26 O CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6EIZ 1.85 Å NON-ENZYME: OTHER A DE NOVO DESIGNED HEXAMERIC COILED COIL CC-HEX2 WITH FARNES IN THE CHANNEL. SYNTHETIC CONSTRUCT ALPHA-HELICAL COILED-COIL BARREL DE NOVO PROTEIN
Ref.: DE NOVO-DESIGNED ALPHA-HELICAL BARRELS AS RECEPTORS SMALL MOLECULES. ACS SYNTH BIOL V. 7 1808 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6EIZ Ki = 0.6 uM FOF C15 H26 O CC(=CCC/C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6EIZ Ki = 0.6 uM FOF C15 H26 O CC(=CCC/C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6EIZ Ki = 0.6 uM FOF C15 H26 O CC(=CCC/C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FOF; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 N1S 1 1
2 ELX 1 1
3 FOF 1 1
4 FOH 1 1
5 64Z 0.862069 0.956522
6 SQL 0.6875 0.666667
7 GER 0.628571 0.695652
8 FAR 0.628571 0.695652
9 28U 0.466667 0.633333
10 58X 0.425 0.653846
Similar Ligands (3D)
Ligand no: 1; Ligand: FOF; Similar ligands found: 6
No: Ligand Similarity coefficient
1 12H 0.8972
2 DAO 0.8923
3 Y39 0.8866
4 BDD 0.8727
5 C14 0.8626
6 Q9C 0.8551
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6EIZ; Ligand: FOF; 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: 6eiz.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback