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 263 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 196 families.
1 4N6H - EJ4 C26 H26 N2 O3 c1ccc2c(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 4N6H - EJ4 C26 H26 N2 O3 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EJ4; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 EJ4 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4N6H; Ligand: EJ4; Similar sites found: 21
This union binding pocket(no: 1) in the query (biounit: 4n6h.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4OYA 1VE 0.03425 0.43138 1.93237
2 1KPH 10A 0.02331 0.40029 2.09059
3 3DCT 064 0.01491 0.4202 2.55319
4 1YOK P6L 0.04732 0.40523 2.73438
5 3LOO B4P 0.03153 0.41492 2.73973
6 2OCI TYC 0.00931 0.40706 2.75591
7 4POJ 2VP 0.03227 0.40115 3.4632
8 2VG1 FPP 0.01806 0.41436 3.50877
9 3H0A 9RA 0.01726 0.40879 3.50877
10 1NLU IVA PHI TYB 0.01386 0.40323 3.78378
11 1DB1 VDX 0.03229 0.41119 4.6332
12 3FS1 MYR 0.004423 0.43482 4.78261
13 3W8X FTK 0.006454 0.42208 4.83092
14 3G6K FAD 0.04626 0.40269 5.51948
15 3G6K POP 0.04212 0.40269 5.51948
16 1N83 CLR 0.01966 0.4139 6.66667
17 1OW4 2AN 0.003464 0.40179 7.75194
18 1T0S BML 0.01098 0.41016 9.30233
19 5M67 3D1 0.04805 0.41572 10.2296
20 2DYR PGV 0.01346 0.43609 13.2653
21 2RH1 CAU 0.00005244 0.5342 21.9807
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