Receptor
PDB id Resolution Class Description Source Keywords
1HG4 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE ULTRASPIRACLE LIGAND BINDING DOMAIN FROM DROSOPHILA MELANOGA DROSOPHILA MELANOGASTER NUCLEAR HORMONE RECEPTOR TRANSCRIPTION FACTOR LIGAND BINDI
Ref.: THE STRUCTURE OF THE ULTRASPIRACLE LIGAND-BINDING D REVEALS A NUCLEAR RECEPTOR LOCKED IN AN INACTIVE CONFORMATION PROC.NATL.ACAD.SCI.USA V. 98 1549 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LPP A:1;
B:1;
C:1;
D:1;
E:1;
F:1;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
648.891 C35 H69 O8 P CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HG4 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE ULTRASPIRACLE LIGAND BINDING DOMAIN FROM DROSOPHILA MELANOGA DROSOPHILA MELANOGASTER NUCLEAR HORMONE RECEPTOR TRANSCRIPTION FACTOR LIGAND BINDI
Ref.: THE STRUCTURE OF THE ULTRASPIRACLE LIGAND-BINDING D REVEALS A NUCLEAR RECEPTOR LOCKED IN AN INACTIVE CONFORMATION PROC.NATL.ACAD.SCI.USA V. 98 1549 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 1HG4 - LPP C35 H69 O8 P CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 1HG4 - LPP C35 H69 O8 P CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 4N8R ic50 = 16.8 uM K08 C23 H24 N4 CC1=C(c2cc....
2 1HG4 - LPP C35 H69 O8 P CCCCCCCCCC....
3 1G2N - EPH C39 H68 N O8 P CCCC=CCC=C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LPP; Similar ligands found: 92
No: Ligand ECFP6 Tc MDL keys Tc
1 7PH 1 1
2 6PH 1 1
3 3PH 1 1
4 LPP 1 1
5 7P9 0.980392 1
6 PD7 0.921569 1
7 M7U 0.847458 1
8 44E 0.846154 1
9 PX2 0.803571 0.930233
10 TGL 0.745098 0.690476
11 CD4 0.725806 0.953488
12 PEF 0.714286 0.788462
13 PEV 0.714286 0.788462
14 PEH 0.714286 0.788462
15 8PE 0.714286 0.788462
16 PTY 0.714286 0.788462
17 9PE 0.703125 0.788462
18 PEE 0.703125 0.773585
19 LHG 0.703125 0.911111
20 PGT 0.703125 0.911111
21 CDL 0.6875 0.863636
22 HGP 0.681818 0.727273
23 HGX 0.681818 0.727273
24 LIO 0.681818 0.727273
25 PC7 0.681818 0.727273
26 6PL 0.681818 0.727273
27 P5S 0.681818 0.803922
28 PLD 0.681818 0.727273
29 PII 0.661765 0.836735
30 CN3 0.642857 0.953488
31 PIF 0.642857 0.857143
32 3PE 0.641791 0.711538
33 DDR 0.631579 0.697674
34 DGA 0.631579 0.697674
35 L2C 0.631579 0.697674
36 PIZ 0.630137 0.875
37 XP5 0.626866 0.727273
38 L9Q 0.625 0.773585
39 LOP 0.625 0.773585
40 PCF 0.623188 0.685185
41 MC3 0.623188 0.685185
42 PC1 0.623188 0.685185
43 PGW 0.616438 0.891304
44 PIO 0.616438 0.857143
45 52N 0.616438 0.857143
46 IP9 0.616438 0.875
47 CN6 0.614286 0.953488
48 NKN 0.610169 0.953488
49 AGA 0.608696 0.869565
50 PGV 0.608108 0.891304
51 DR9 0.608108 0.891304
52 PGK 0.6 0.854167
53 PCW 0.6 0.714286
54 P6L 0.6 0.891304
55 OZ2 0.592105 0.891304
56 44G 0.590909 0.911111
57 ZPE 0.586667 0.773585
58 PCK 0.584416 0.689655
59 B7N 0.584416 0.82
60 DGG 0.576923 0.854167
61 PSF 0.573529 0.803922
62 LBR 0.5625 0.644444
63 GP7 0.5625 0.773585
64 PIE 0.556962 0.764706
65 P3A 0.556962 0.851064
66 PEK 0.556962 0.773585
67 L9R 0.551282 0.672727
68 PSC 0.548781 0.714286
69 NKP 0.529412 0.931818
70 G2A 0.527273 0.659091
71 2JT 0.527273 0.659091
72 T7X 0.517647 0.82
73 PDK 0.505618 0.683333
74 SQD 0.5 0.609375
75 GYM 0.491525 0.644444
76 DLP 0.482353 0.672727
77 EPH 0.466667 0.773585
78 LP3 0.465753 0.732143
79 LPC 0.465753 0.732143
80 LAP 0.465753 0.732143
81 PGM 0.457143 0.847826
82 PC5 0.432432 0.603448
83 3PC 0.428571 0.666667
84 OLB 0.426471 0.630435
85 PVC 0.426471 0.625
86 OLC 0.426471 0.630435
87 CN5 0.421053 0.931818
88 42H 0.414634 0.719298
89 DB4 0.413333 0.795918
90 PBU 0.410256 0.795918
91 MVC 0.405797 0.630435
92 S12 0.402439 0.769231
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1HG4; Ligand: LPP; Similar sites found: 93
This union binding pocket(no: 1) in the query (biounit: 1hg4.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3W54 RNB 0.004671 0.43096 1.07527
2 4CNO 9PY 0.03347 0.40441 1.43369
3 4UBS DIF 0.03703 0.40166 1.79211
4 1A05 IPM 0.02881 0.40877 2.15054
5 3GXO MQA 0.02409 0.40785 2.15054
6 3N75 G4P 0.03121 0.40758 2.7972
7 1DL2 NAG NAG BMA 0.003315 0.43278 2.86738
8 2QS8 MET 0.01319 0.42134 2.86738
9 4DS8 A8S 0.008211 0.41927 2.86738
10 3P3N AKG 0.03003 0.40644 2.86738
11 1H2M OGA 0.03208 0.40483 2.86738
12 1H2K OGA 0.03809 0.40063 2.86738
13 5U9J GER 0.02881 0.40787 2.95858
14 1RL4 BL5 0.03908 0.40077 3.19149
15 4XNV BUR 0.01447 0.42545 3.22581
16 4N14 WR7 0.03977 0.40066 3.22581
17 2OVD DAO 0.02881 0.40943 3.2967
18 4QM9 CYS 0.04012 0.40112 3.46821
19 3KDJ A8S 0.009915 0.40492 3.58423
20 4UYF 73B 0.03705 0.40126 3.8961
21 3KYQ DPV 0.03661 0.40233 4.0201
22 1T0S BML 0.02752 0.40827 4.30108
23 5UC9 MYR 0.02134 0.41058 4.42478
24 1W2D ADP 0.02371 0.40432 4.5283
25 1DTL BEP 0.008107 0.4235 4.96894
26 1DMH LIO 0.003859 0.41734 5.01792
27 2CHT TSA 0.03828 0.4013 5.51181
28 4Q0K GA3 0.008979 0.41741 5.55556
29 4I90 CHT 0.01853 0.42706 5.61056
30 4INW 1EY 0.008615 0.41101 5.71429
31 5DCH 1YO 0.02812 0.40964 5.72917
32 2VWA PTY 0.006843 0.44759 5.94059
33 1XM4 PIL 0.01165 0.41581 7.16846
34 1XMU ROF 0.01647 0.40481 7.16846
35 4XCP PLM 0.03851 0.40257 7.52688
36 2QJY UQ2 0.0213 0.41484 8.02139
37 3EYK EYK 0.0458 0.41376 8.35913
38 4LBP 1WG 0.02993 0.40297 8.60215
39 3TDC 0EU 0.001021 0.47724 10.3943
40 1TW4 CHD 0.01179 0.41555 10.4
41 5G5W R8C 0.0002397 0.44858 12.9032
42 1NHZ 486 0.001372 0.40445 12.9032
43 4LSJ LSJ 0.00007439 0.44466 13.9535
44 1M2Z DEX 0.0002727 0.47002 14.0078
45 3BQD DAY 0.0003637 0.42029 14.1176
46 4P6X HCY 0.0006382 0.40737 14.1176
47 4P6W MOF 0.0005414 0.44898 14.2857
48 4E2J MOF 0.0002728 0.46149 15.2
49 3GN8 DEX 0.0005124 0.45805 15.261
50 5UFS 1TA 0.0002681 0.4618 15.3226
51 3BRN SRO 0.03041 0.40697 19.7133
52 1ZOY UQ1 0.02117 0.41549 25.2427
53 5IXK 6EW 0.005766 0.41209 26.7544
54 4ZOM 4Q3 0.002874 0.44404 27.1111
55 3RY9 1CA 0.0001858 0.48693 27.2401
56 1SR7 MOF 0.001065 0.42929 30.8244
57 3KMR EQN 0.007198 0.41114 31.1828
58 2Q1H AS4 0.00004409 0.44312 32
59 5HCV 60R 0.0001126 0.48678 32.9749
60 2A3I C0R 0.0000998 0.44282 32.9749
61 4OAR 2S0 0.0000174 0.52221 33.3333
62 5L7G 6QE 0.000001942 0.50783 33.3333
63 2I0G I0G 0.00002618 0.51635 34.4086
64 1YYE 196 0.00002939 0.42919 34.4086
65 4UDB CV7 0.00001708 0.50231 35.2941
66 1U3R 338 0.000001475 0.48345 35.6846
67 4J26 EST 0.000008524 0.5685 35.8333
68 3OLL EST 0.000001673 0.47165 35.8333
69 2YJD YJD 0.00001084 0.44609 35.8333
70 4J24 EST 0.0000105 0.43528 35.8333
71 4Q0A 4OA 0.003228 0.42671 35.8423
72 5E7V M7E 0.001445 0.42118 35.8423
73 5LGA 6VH 0.003046 0.4149 35.8423
74 4DK7 0KS 0.002783 0.42959 36.0324
75 5DXG EST 0.000005978 0.44109 36.3985
76 5DXE EST 0.00001172 0.43956 36.3985
77 3V49 PK0 0.0007914 0.42137 36.4662
78 5DX3 EST 0.00001025 0.43699 36.7816
79 5HYR EST 0.000009347 0.44232 36.8217
80 3VRV YSD 0.002015 0.43488 36.9176
81 4MG8 27J 0.000007547 0.56375 37.2549
82 4MGD 27N 0.0002114 0.49492 37.2549
83 4MGB XDH 0.000001333 0.48595 37.2549
84 4MG7 27H 0.000001117 0.48581 37.2549
85 4TUZ 36J 0.000003391 0.4477 37.2549
86 4MGA 27L 0.01508 0.42166 37.2549
87 4DM8 REA 0.004605 0.40991 37.276
88 3UU7 2OH 0.000004266 0.60892 37.8486
89 3UUA 0CZ 0.001252 0.46822 37.8486
90 3UUD EST 0.000008761 0.44292 37.8486
91 2AX9 BHM 0.0007112 0.4465 37.8906
92 2PJL 047 0.0009928 0.44163 38.4615
93 5GIC DLC 0.0004506 0.44113 39.6
Pocket No.: 2; Query (leader) PDB : 1HG4; Ligand: LPP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1hg4.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1HG4; Ligand: LPP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1hg4.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1HG4; Ligand: LPP; Similar sites found: 22
This union binding pocket(no: 4) in the query (biounit: 1hg4.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4V3I ASP LEU THR ARG PRO 0.03041 0.40846 1.55642
2 1SZO CAX 0.03547 0.40453 2.50896
3 3CQL NAG 0.014 0.42444 3.29218
4 4B3J ADP 0.03255 0.41186 3.94265
5 1M3U KPL 0.02143 0.41047 4.30108
6 3ZJQ NCA 0.01865 0.40463 4.6595
7 4M6G ALA ZGL 0.03583 0.40586 5.33333
8 1OGX EQU 0.02004 0.40072 6.10687
9 5OCA 9QZ 0.02434 0.40585 7.16846
10 4A4Z ANP 0.02548 0.40274 8.24373
11 2VPY PCI 0.01378 0.42484 9.09091
12 3L1N PLM 0.02705 0.40933 9.27835
13 1FK5 OLA 0.003769 0.41357 9.67742
14 1EPB REA 0.01017 0.41119 10.9756
15 1DQE BOM 0.009972 0.40166 24.0876
16 3KDU NKS 0.0102 0.40523 29.3907
17 1M13 HYF 0.002625 0.4137 30.1075
18 3L0E G58 0.004156 0.40022 35.5731
19 3KFC 61X 0.0008769 0.41143 36.7589
20 5ICK FEZ 0.007785 0.40962 37.1179
21 4MG9 27K 0.000008169 0.41279 37.2549
22 3IPQ 965 0.001569 0.40205 43.0108
Pocket No.: 5; Query (leader) PDB : 1HG4; Ligand: LPP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1hg4.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1HG4; Ligand: LPP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1hg4.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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