Receptor
PDB id Resolution Class Description Source Keywords
3S0E 1.6 Å NON-ENZYME: OTHER APIS MELLIFERA OBP14 IN COMPLEX WITH THE ODORANT EUGENOL (2- 4(2-PROPENYL)-PHENOL) APIS MELLIFERA ALL HELICAL PROTEIN UNKNOWN ODORANT MOLECULES ANTENNAE TRPROTEIN
Ref.: CRYSTAL STRUCTURE OF APIS MELLIFERA OBP14, A C-MINU ODORANT-BINDING PROTEIN, AND ITS COMPLEXES WITH ODO MOLECULES. INSECT BIOCHEM.MOL.BIOL. V. 42 41 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EOL A:120;
Valid;
none;
Kd = 90 nM
164.201 C10 H12 O2 COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3S0E 1.6 Å NON-ENZYME: OTHER APIS MELLIFERA OBP14 IN COMPLEX WITH THE ODORANT EUGENOL (2- 4(2-PROPENYL)-PHENOL) APIS MELLIFERA ALL HELICAL PROTEIN UNKNOWN ODORANT MOLECULES ANTENNAE TRPROTEIN
Ref.: CRYSTAL STRUCTURE OF APIS MELLIFERA OBP14, A C-MINU ODORANT-BINDING PROTEIN, AND ITS COMPLEXES WITH ODO MOLECULES. INSECT BIOCHEM.MOL.BIOL. V. 42 41 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3S0E Kd = 90 nM EOL C10 H12 O2 COc1cc(ccc....
2 3S0B Kd = 0.32 uM FNA C16 H13 N c1ccc(cc1)....
3 3S0D Kd = 280 nM CTV C10 H15 N CC(=CCC/C(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3S0E Kd = 90 nM EOL C10 H12 O2 COc1cc(ccc....
2 3S0B Kd = 0.32 uM FNA C16 H13 N c1ccc(cc1)....
3 3S0D Kd = 280 nM CTV C10 H15 N CC(=CCC/C(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3S0E Kd = 90 nM EOL C10 H12 O2 COc1cc(ccc....
2 3S0B Kd = 0.32 uM FNA C16 H13 N c1ccc(cc1)....
3 3S0D Kd = 280 nM CTV C10 H15 N CC(=CCC/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EOL; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 EOL 1 1
2 PWK 0.489362 0.612903
3 YTX 0.479167 0.678571
4 MLO 0.477273 0.653846
5 4M4 0.466667 0.952381
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3S0E; Ligand: EOL; 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: 3s0e.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback