Receptor
PDB id Resolution Class Description Source Keywords
1ZDU 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE THE CRYSTAL STRUCTURE OF HUMAN LIVER RECEPTOR HOMOLOGUE-1 HOMO SAPIENS LIVER RECEPTOR HOMOLOGUE-1 LRH-1 NUCLEAR RECEPTOR PHOSPHOPHOSPHATIDYLETHANOLAMINE TRANSCRIPTION
Ref.: THE CRYSTAL STRUCTURES OF HUMAN STEROIDOGENIC FACTO LIVER RECEPTOR HOMOLOGUE-1 PROC.NATL.ACAD.SCI.USA V. 102 7505 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
P3A A:101;
Valid;
none;
submit data
872.997 C41 H78 O15 P2 CCCCC...
TRS A:103;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZDU 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE THE CRYSTAL STRUCTURE OF HUMAN LIVER RECEPTOR HOMOLOGUE-1 HOMO SAPIENS LIVER RECEPTOR HOMOLOGUE-1 LRH-1 NUCLEAR RECEPTOR PHOSPHOPHOSPHATIDYLETHANOLAMINE TRANSCRIPTION
Ref.: THE CRYSTAL STRUCTURES OF HUMAN STEROIDOGENIC FACTO LIVER RECEPTOR HOMOLOGUE-1 PROC.NATL.ACAD.SCI.USA V. 102 7505 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 1ZDU - P3A C41 H78 O15 P2 CCCCCCCCCC....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 1ZDU - P3A C41 H78 O15 P2 CCCCCCCCCC....
2 5SYZ - 71W C28 H34 O CCCCCCC1=C....
3 4PLE - EPH C39 H68 N O8 P CCCC=CCC=C....
4 5L11 - RJW C28 H34 O CCCCCCC1=C....
5 1YOK - P6L C40 H75 O10 P CCCCCCCCCC....
6 3PLZ - 470 C28 H35 N CCC/C=C(CC....
7 1ZDT - PEF C37 H74 N O8 P CCCCCCCCCC....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 1ZDU - P3A C41 H78 O15 P2 CCCCCCCCCC....
2 5SYZ - 71W C28 H34 O CCCCCCC1=C....
3 4PLE - EPH C39 H68 N O8 P CCCC=CCC=C....
4 5L11 - RJW C28 H34 O CCCCCCC1=C....
5 1YOK - P6L C40 H75 O10 P CCCCCCCCCC....
6 3PLZ - 470 C28 H35 N CCC/C=C(CC....
7 1ZDT - PEF C37 H74 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: P3A; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 P3A 1 1
2 CDL 0.794521 0.888889
3 AGA 0.763158 0.977778
4 DR9 0.731707 0.956522
5 PGV 0.731707 0.956522
6 PGW 0.719512 0.956522
7 OZ2 0.714286 0.956522
8 P6L 0.702381 0.956522
9 L9R 0.694118 0.696429
10 PIE 0.659091 0.823529
11 LOP 0.627907 0.796296
12 L9Q 0.627907 0.796296
13 PGM 0.623377 0.955556
14 3PE 0.621951 0.769231
15 ZPE 0.613636 0.796296
16 PGT 0.609756 0.934783
17 LHG 0.609756 0.934783
18 PCW 0.606742 0.706897
19 DLP 0.602151 0.696429
20 PX2 0.589744 0.869565
21 PC1 0.588235 0.678571
22 PCF 0.588235 0.678571
23 MC3 0.588235 0.678571
24 CD4 0.585366 0.891304
25 B7N 0.576087 0.807692
26 GP7 0.574468 0.796296
27 OLB 0.558442 0.733333
28 OLC 0.558442 0.733333
29 MVC 0.558442 0.733333
30 3PH 0.556962 0.851064
31 7PH 0.556962 0.851064
32 LPP 0.556962 0.851064
33 6PH 0.556962 0.851064
34 7P9 0.55 0.851064
35 PSC 0.546392 0.706897
36 PGK 0.537634 0.877551
37 CN3 0.533333 0.891304
38 NKP 0.53012 0.87234
39 78M 0.525641 0.733333
40 78N 0.525641 0.733333
41 44G 0.52381 0.934783
42 PEF 0.523256 0.777778
43 PTY 0.523256 0.777778
44 PEH 0.523256 0.777778
45 PEV 0.523256 0.777778
46 8PE 0.523256 0.777778
47 DGG 0.520833 0.877551
48 PEK 0.520833 0.796296
49 3TF 0.520408 0.618182
50 9PE 0.517241 0.777778
51 TGL 0.513514 0.644444
52 PD7 0.5125 0.851064
53 CN6 0.511111 0.891304
54 1O2 0.510204 0.618182
55 6PL 0.505618 0.689655
56 LIO 0.505618 0.689655
57 HGX 0.505618 0.689655
58 PC7 0.505618 0.689655
59 PLD 0.505618 0.689655
60 P5S 0.505618 0.792453
61 HGP 0.505618 0.689655
62 EPH 0.504854 0.796296
63 PEE 0.5 0.796296
64 M7U 0.5 0.851064
65 42H 0.494624 0.741379
66 L2C 0.487179 0.688889
67 DGA 0.487179 0.688889
68 DDR 0.487179 0.688889
69 PII 0.478261 0.788462
70 T7X 0.475728 0.807692
71 1L2 0.471698 0.618182
72 44E 0.469136 0.851064
73 S12 0.468085 0.792453
74 XP5 0.466667 0.689655
75 PIZ 0.463918 0.754717
76 GGD 0.463636 0.625
77 IP9 0.453608 0.754717
78 PIF 0.452632 0.773585
79 PCK 0.45 0.655738
80 LBR 0.447059 0.638298
81 GYM 0.441558 0.711111
82 PIO 0.438776 0.773585
83 52N 0.438776 0.773585
84 PSF 0.428571 0.792453
85 NKN 0.421687 0.851064
86 2JT 0.407895 0.652174
87 G2A 0.407895 0.652174
88 SQD 0.401961 0.606061
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZDU; Ligand: P3A; Similar sites found: 127
This union binding pocket(no: 1) in the query (biounit: 1zdu.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DOL PLM 0.005121 0.41984 None
2 3AQT RCO 0.02608 0.41235 None
3 1T3D CYS 0.0299 0.40719 1.22449
4 1A05 IPM 0.02994 0.40757 1.63265
5 3KO0 TFP 0.009473 0.43036 1.9802
6 3GXO MQA 0.02038 0.41025 2.04082
7 1ZOY UQ1 0.03653 0.40118 2.04082
8 3K3K A8S 0.001847 0.43214 2.36967
9 3LE7 ADE 0.01222 0.42689 2.44898
10 4RW3 PLM 0.03167 0.42544 2.44898
11 2OHV NHL 0.01754 0.41359 2.44898
12 1TV5 N8E 0.03903 0.41136 2.44898
13 1MRH FMC 0.02738 0.40772 2.44898
14 4C1M NIH 0.00875 0.42952 2.85714
15 2BP1 FLC 0.01719 0.42546 2.85714
16 1I0B PEL 0.02374 0.4197 2.85714
17 3NOJ PYR 0.009425 0.44374 2.94118
18 1XMY ROL 0.003624 0.44858 3.26531
19 1XM4 PIL 0.007553 0.42355 3.26531
20 1J78 OLA 0.02922 0.42242 3.26531
21 1XMU ROF 0.007249 0.4204 3.26531
22 2QES ADE 0.01973 0.41923 3.26531
23 1J78 VDY 0.02227 0.40826 3.26531
24 2Z9I GLY ALA THR VAL 0.02625 0.40698 3.26531
25 2V5K OXM 0.04399 0.40405 3.26531
26 4UBS DIF 0.036 0.4005 3.26531
27 3RV5 DXC 0.00002201 0.4681 3.37079
28 3B6C SDN 0.01512 0.42132 3.4188
29 5UC9 MYR 0.007478 0.43254 3.53982
30 3TDC 0EU 0.001126 0.5246 3.54331
31 1EPB REA 0.01064 0.40884 3.65854
32 4LH7 NMN 0.01137 0.4306 3.67347
33 3HYW DCQ 0.01616 0.41762 3.67347
34 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.04465 0.41627 3.67347
35 4WX0 HXD 0.01631 0.4002 3.67347
36 4MNS 2AX 0.009531 0.40895 3.77358
37 3JRS A8S 0.001383 0.40653 3.84615
38 3KDJ A8S 0.002661 0.4289 3.9604
39 4X8D AVI 0.01052 0.4285 4.08163
40 5L2J 6UL 0.008705 0.42095 4.08163
41 5L2J 70E 0.009298 0.42095 4.08163
42 1RL4 BL5 0.02903 0.4285 4.25532
43 5MW4 5JU 0.01136 0.40037 4.4898
44 3ZJQ NCA 0.02785 0.42228 4.61538
45 3E3U NVC 0.01469 0.4058 5.07614
46 5MOB A8S 0.006167 0.43218 5.17241
47 5OCA 9QZ 0.007934 0.4349 5.55556
48 4DS8 A8S 0.006697 0.42203 5.71429
49 4WVO 3UZ 0.001171 0.41829 5.71429
50 4L80 OXL 0.03854 0.40175 5.71429
51 5JO1 6LM 0.001594 0.40089 5.71429
52 4URN NOV 0.025 0.40981 5.77778
53 2AWN ADP 0.02868 0.41044 6.12245
54 2O1O RIS 0.02655 0.41 6.12245
55 5V4R MGT 0.02841 0.41785 6.17284
56 2CIG 1DG 0.009393 0.40572 6.28931
57 4I90 CHT 0.02895 0.40924 6.93878
58 2VOH CIT 0.02416 0.42794 7.00637
59 3KU0 ADE 0.01303 0.42936 7.7551
60 2VDY HCY 0.0394 0.40212 7.7551
61 4V3I ASP LEU THR ARG PRO 0.009278 0.43749 8.57143
62 1T9D 1MM 0.009107 0.41569 8.57143
63 1TUV VK3 0.002739 0.47696 9.64912
64 2NNQ T4B 0.001069 0.44007 9.92366
65 4LA7 A1O 0.002128 0.41599 10.3627
66 1P7T PYR 0.01792 0.42371 10.6122
67 5DCH 1YO 0.009253 0.43593 10.9375
68 5HCV 60R 0.00008298 0.49072 11.0204
69 2A3I C0R 0.0001854 0.43715 11.0204
70 1U72 NDP 0.01233 0.40731 11.2903
71 5L7G 6QE 0.000009095 0.49075 11.4286
72 4UDB CV7 0.00002956 0.49072 11.4286
73 4LAE NAP 0.01169 0.40755 11.976
74 4LAE 1VM 0.01169 0.40755 11.976
75 1NF8 BOG 0.03237 0.41392 13.0435
76 1AUA BOG 0.03164 0.40439 13.8776
77 1DTL BEP 0.009638 0.4184 17.3913
78 3TL1 JRO 0.01482 0.42177 17.6101
79 3WBG 2AN 0.01291 0.40848 19.6078
80 3RY9 1CA 0.0001556 0.48863 21.6327
81 2Q1H AS4 0.0002741 0.42079 21.6327
82 2VWA PTY 0.0156 0.42849 21.7822
83 5UFS 1TA 0.0001502 0.47056 22.0408
84 3BQD DAY 0.0006137 0.4178 23.2653
85 3KDU NKS 0.0007255 0.45678 26.1224
86 3ET1 ET1 0.000693 0.40966 26.1224
87 2NPA MMB 0.005145 0.40952 26.1224
88 1K7L 544 0.004145 0.40149 26.1224
89 3FUR Z12 0.001855 0.43748 28.1633
90 3G9E RO7 0.001437 0.42984 28.1633
91 4LSJ LSJ 0.0000793 0.44933 28.9796
92 5NTW 98N 0.005164 0.40335 30.2041
93 1SR7 MOF 0.001031 0.43301 31.0204
94 4OAR 2S0 0.0009708 0.40831 31.0204
95 5APK 76E 0.0004702 0.4422 31.4286
96 5IXK 6EW 0.0004745 0.41732 31.5789
97 4ZOM 4Q3 0.0007762 0.47238 32
98 2AX9 BHM 0.001147 0.4411 33.4694
99 3KFC 61X 0.001369 0.42938 34.6939
100 1M13 HYF 0.002238 0.41938 36.3265
101 3IPQ 965 0.0007522 0.41097 36.3265
102 5E7V M7E 0.002122 0.41753 36.7347
103 5LGA 6VH 0.004173 0.41211 36.7347
104 3KMR EQN 0.01142 0.40076 38.3673
105 3VRV YSD 0.002601 0.4331 39.1837
106 2I0G I0G 0.0001237 0.49168 40.4082
107 1YYE 196 0.000001496 0.47208 40.4082
108 1U3R 338 0.0000007208 0.50007 41.0788
109 4OIV XX9 0.009351 0.40196 41.1504
110 4MG8 27J 0.000001155 0.60027 41.6327
111 3UU7 2OH 0.00004847 0.55169 41.6327
112 4MGD 27N 0.00004327 0.52576 41.6327
113 3UUA 0CZ 0.0001528 0.51194 41.6327
114 4MGB XDH 0.0000004878 0.50826 41.6327
115 4MG7 27H 0.000002109 0.48818 41.6327
116 4TUZ 36J 0.0000004429 0.4854 41.6327
117 3UUD EST 0.000004438 0.4607 41.6327
118 5DXE EST 0.000005039 0.45914 41.6327
119 5HYR EST 0.000006639 0.45615 41.6327
120 5DX3 EST 0.000007385 0.44568 41.6327
121 5DXG EST 0.00001149 0.43959 41.6327
122 4MGA 27L 0.008834 0.43227 41.6327
123 2R40 EPH 0.000007963 0.49502 46.1224
124 4J26 EST 0.000007584 0.56889 48.3333
125 4J24 EST 0.00001282 0.43907 48.3333
126 2YJD YJD 0.00005299 0.43326 48.3333
127 3OLL EST 0.000001485 0.48441 48.75
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