-->
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 286 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 209 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 174 families.
1 6C1R - EFD C33 H35 F4 N3 O2 Cc1cccc(c1....
2 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 with APoc: 88
This union binding pocket(no: 1) in the query (biounit: 4n6h.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 1UVC STE None
2 3KPE TM3 None
3 1FK5 OLA None
4 4ZBR NPS 1.44928
5 3FP0 FP0 1.69082
6 2PVN P63 1.70455
7 4OYA 1VE 1.93237
8 5AAV GW5 1.98413
9 1KPH 10A 2.09059
10 3F3E LEU 2.17391
11 6BR9 6OU 2.22841
12 4NOS ITU 2.41546
13 3HB5 E2B 2.44648
14 3KPX CZH 2.52525
15 3DCT 064 2.55319
16 3RUU 37G 2.62009
17 4OIV XX9 2.65487
18 5B25 4QJ 2.66272
19 3CV9 VDX 2.6699
20 1YOK P6L 2.73438
21 3LOO B4P 2.73973
22 2C9E PID 2.75229
23 2OCI TYC 2.75591
24 2UXI G50 2.85714
25 4U82 FPS 3.125
26 3NJ4 AFX 3.1401
27 4ONC 40B 3.16901
28 5WRE 7TL 3.22581
29 4KBS PX2 3.25581
30 4QJR PIZ 3.26531
31 3ZQE DXC 3.27869
32 1YP0 PEF 3.34728
33 5ICE SAH 3.40909
34 4M8E 29V 3.4632
35 4POJ 2VP 3.4632
36 3HLX PQQ 3.48837
37 2VG1 FPP 3.50877
38 3H0A 9RA 3.50877
39 4WVO 3UZ 3.62538
40 1NLU IVA PHI TYB 3.78378
41 5WS9 OXL 3.86473
42 6G9I CXX 3.93939
43 5ZBL AMP 3.94089
44 6BMS PLM 4.10557
45 5CYV WCA 4.10959
46 1DKF BMS 4.25532
47 4N9I PCG 4.28571
48 2Z77 HE7 4.31655
49 4DK7 0KS 4.45344
50 3PVT 3HC 4.6332
51 1DB1 VDX 4.6332
52 3FS1 MYR 4.78261
53 5OLK DTP 5.07246
54 2Z3U CRR 5.07246
55 3WYJ H78 5.13834
56 2YI0 YI0 5.24017
57 3KAL HGS 5.31401
58 5UY8 8UM 5.31401
59 5UY8 AMZ 5.31401
60 4WBD CIT 5.31401
61 3G6K FAD 5.51948
62 3G6K POP 5.51948
63 5UC4 83S 5.90909
64 6BQC LOP 6.26632
65 1N83 CLR 6.66667
66 6F3N ADN 6.76329
67 3F8C HT1 7.14286
68 5B0W 22B 7.56014
69 1OW4 2AN 7.75194
70 3KP6 SAL 8.60927
71 2ZJ1 NAD 8.69565
72 2ZJ1 ARJ 8.69565
73 5IM3 DTP 8.69565
74 1MT1 AG2 8.84956
75 1T0S BML 9.30233
76 2Y69 CHD 10.0775
77 5M67 NAD 10.2296
78 5M67 3D1 10.2296
79 3OGN 3OG 12.9032
80 5Z84 PGV 13.2653
81 5ZCO PGV 13.2653
82 2DYR PGV 13.2653
83 5Z84 CHD 13.2653
84 5ZCO CHD 13.2653
85 5W97 CHD 13.2653
86 2RH1 CAU 21.9807
87 2RH1 CLR 21.9807
88 1PZL MYR 42.8571
APoc FAQ
Feedback