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
FOH F:101;
Valid;
none;
Ki = 0.6 uM
222.366 C15 H26 O CC(=C...
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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 1443 families.
1 6EIZ Ki = 0.6 uM FOH 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 1205 families.
1 6EIZ Ki = 0.6 uM FOH 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 1039 families.
1 6EIZ Ki = 0.6 uM FOH C15 H26 O CC(=CCC/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FOH; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 FOH 1 1
2 64Z 0.862069 0.956522
3 SQL 0.6875 0.666667
4 GER 0.628571 0.695652
5 FAR 0.628571 0.695652
6 28U 0.466667 0.633333
7 58X 0.425 0.653846
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6EIZ; Ligand: FOH; 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
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