Receptor
PDB id Resolution Class Description Source Keywords
4N6H 1.8 Å NON-ENZYME: SIGNAL_HORMONE 1.8 A STRUCTURE OF THE HUMAN DELTA OPIOID 7TM RECEPTOR (PSI TARGET) ESCHERICHIA COLI, HOMO SAPIENS HUMAN OPIOID RECEPTOR SODIUM REGULATION ALLOSTERY FUNCTIOSELECTIVITY GPCR SIGNALING CONSTITUTIVE ACTIVITY GPCR NEMEMBRANE PROTEIN PSI-BIOLOGY STRUCTURAL GENOMICS GPCR MSIGNALING PROTEIN
Ref.: MOLECULAR CONTROL OF DELTA-OPIOID RECEPTOR SIGNALLI NATURE V. 506 191 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PGE A:1214;
A:1213;
A:1221;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
150.173 C6 H14 O4 C(COC...
OLA A:1201;
A:1205;
A:1216;
A:1206;
A:1203;
A:1215;
A:1204;
A:1210;
A:1211;
A:1209;
A:1217;
A:1202;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
282.461 C18 H34 O2 CCCCC...
OLC A:1223;
A:1207;
A:1222;
A:1212;
A:1208;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
356.54 C21 H40 O4 CCCCC...
NA A:1220;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
EJ4 A:1219;
 Valid;
 none;
 submit data
414.496 C26 H26 N2 O3 c1ccc...
TLA A:1218;
 Invalid;
 none;
 submit data
150.087 C4 H6 O6 [C@@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4N6H 1.8 Å NON-ENZYME: SIGNAL_HORMONE 1.8 A STRUCTURE OF THE HUMAN DELTA OPIOID 7TM RECEPTOR (PSI TARGET) ESCHERICHIA COLI, HOMO SAPIENS HUMAN OPIOID RECEPTOR SODIUM REGULATION ALLOSTERY FUNCTIOSELECTIVITY GPCR SIGNALING CONSTITUTIVE ACTIVITY GPCR NEMEMBRANE PROTEIN PSI-BIOLOGY STRUCTURAL GENOMICS GPCR MSIGNALING PROTEIN
Ref.: MOLECULAR CONTROL OF DELTA-OPIOID RECEPTOR SIGNALLI NATURE V. 506 191 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 4N6H - EJ4 C26 H26 N2 O3 c1ccc2c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 4N6H - EJ4 C26 H26 N2 O3 c1ccc2c(c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 6C1R - EFD C33 H35 F4 N3 O2 Cc1cccc(c1....
2 4N6H - EJ4 C26 H26 N2 O3 c1ccc2c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EJ4; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 EJ4 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: EJ4; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4N6H; Ligand: EJ4; 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: 4n6h.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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