Receptor
PDB id Resolution Class Description Source Keywords
5UNJ 1.96 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF HUMAN LIVER RECEPTOR HOMOLOG 1 IN COMPLEX WITH RJW100 HOMO SAPIENS NUCLEAR RECEPTOR AGONIST COREGULATOR NUCLEAR PROTEIN
Ref.: STRUCTURE AND DYNAMICS OF THE LIVER RECEPTOR HOMOLO ALPHA COMPLEX. MOL. PHARMACOL. V. 92 1 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RJW A:601;
Valid;
none;
Kd = 0.24 uM
386.569 C28 H34 O CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5UNJ 1.96 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF HUMAN LIVER RECEPTOR HOMOLOG 1 IN COMPLEX WITH RJW100 HOMO SAPIENS NUCLEAR RECEPTOR AGONIST COREGULATOR NUCLEAR PROTEIN
Ref.: STRUCTURE AND DYNAMICS OF THE LIVER RECEPTOR HOMOLO ALPHA COMPLEX. MOL. PHARMACOL. V. 92 1 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 5UNJ Kd = 0.24 uM RJW C28 H34 O CCCCCCC1=C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 5UNJ Kd = 0.24 uM RJW C28 H34 O CCCCCCC1=C....
2 4QJR Kd = 80 nM PIZ C41 H82 O22 P4 CCCCCCCCCC....
3 3F7D - P42 C42 H88 N 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 5UNJ Kd = 0.24 uM RJW C28 H34 O CCCCCCC1=C....
2 4QJR Kd = 80 nM PIZ C41 H82 O22 P4 CCCCCCCCCC....
3 3F7D - P42 C42 H88 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RJW; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 RJW 1 1
2 71W 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5UNJ; Ligand: RJW; Similar sites found: 140
This union binding pocket(no: 1) in the query (biounit: 5unj.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RJD TFP 0.01024 0.41577 None
2 5EOB 5QQ 0.03258 0.40915 None
3 5ML3 DL3 0.02322 0.40471 1.34228
4 2A1L PCW 0.01713 0.41682 1.63265
5 1P0H ACO 0.04145 0.41021 1.63265
6 1J1R ADE 0.007904 0.42478 2.44898
7 1MRH FMC 0.007853 0.42227 2.44898
8 4RW3 PLM 0.02546 0.41211 2.44898
9 1TV5 N8E 0.02654 0.40389 2.44898
10 3G4G D71 0.009146 0.40199 2.44898
11 3G58 988 0.005253 0.4213 2.62467
12 2P1C GG3 0.01002 0.41419 2.85714
13 4ZBR NPS 0.01241 0.41229 2.85714
14 4M73 M72 0.01948 0.40942 3.26531
15 2QES ADE 0.01909 0.40694 3.26531
16 2ZCQ B65 0.02979 0.40491 3.26531
17 4YNU FAD 0.0384 0.40104 3.26531
18 2CI5 HCS 0.02189 0.40047 3.26531
19 5FBN 5WF 0.02373 0.40001 3.26531
20 3RV5 DXC 0.0008442 0.44863 3.37079
21 4UCC ZKW 0.008085 0.40838 3.43348
22 3CHT 4NB 0.01527 0.40942 3.67347
23 4MNS 2AX 0.02533 0.41169 3.77358
24 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 0.03286 0.40523 4
25 5U98 1KX 0.01595 0.42839 4.0404
26 5C9J STE 0.005958 0.41226 4.0404
27 2F1K NAP 0.00776 0.41522 4.08163
28 3HP9 CF1 0.01669 0.41357 4.08163
29 5FQ0 FLC 0.02199 0.40211 4.38596
30 1UVC STE 0.01693 0.40215 4.3956
31 3G5D 1N1 0.009946 0.43591 4.4898
32 2XXP DSL 0.03566 0.41589 4.4898
33 3WYJ H78 0.04967 0.40611 4.89796
34 2QHD DAO 0.01023 0.43216 4.91803
35 1JH7 UVC 0.008073 0.42371 5.29101
36 3UP3 XCA 0.0002089 0.48422 5.34979
37 5OCA 9QZ 0.008272 0.4407 5.55556
38 3IT7 TLA 0.01299 0.40255 6.04396
39 4MRP GSH 0.01468 0.42704 6.12245
40 4KCF AKM 0.007913 0.41176 6.12245
41 3R9V DXC 0.01389 0.41092 6.12245
42 3LDW ZOL 0.0188 0.40371 6.12245
43 5V4R MGT 0.01109 0.43264 6.17284
44 5IBE 69M 0.009592 0.42332 6.93878
45 3F3E LEU 0.02065 0.40818 6.93878
46 3L9R L9Q 0.002268 0.44991 7.14286
47 3L9R L9R 0.006777 0.42721 7.14286
48 4F7E 0SH 0.01065 0.42319 7.14286
49 1YKI FMN 0.008789 0.41942 7.37327
50 1YKI NFZ 0.01042 0.41942 7.37327
51 3KU0 ADE 0.007373 0.42591 7.7551
52 3WUR O4B 0.03795 0.40558 8.18713
53 4AIA ADK 0.01563 0.40683 8.51064
54 4V3I ASP LEU THR ARG PRO 0.02016 0.40566 8.57143
55 5V3Y 5V8 0.002115 0.40814 9.38776
56 2IDO TMP 0.01327 0.41289 9.63855
57 5IKI A9H 0.01241 0.4077 10.2041
58 4B7P 9UN 0.03472 0.40324 10.4348
59 5HCV 60R 0.00003077 0.47966 11.0204
60 2A3I C0R 0.00009939 0.45271 11.0204
61 4LY9 S6P 0.02433 0.41095 11.0204
62 4LY9 1YY 0.02526 0.41095 11.0204
63 5L7G 6QE 0.000007036 0.5494 11.4286
64 4UDB CV7 0.0000615 0.44307 11.4286
65 3N7S 3N7 0.01368 0.41773 12.5
66 2Z7I 742 0.02166 0.42659 14.2857
67 4IAE 1DX 0.01796 0.40581 14.2857
68 3G08 FEE 0.01446 0.42772 15.1515
69 1Z8O DEB 0.007152 0.41832 16.3265
70 2Q2Y MKR 0.008631 0.42659 16.7347
71 2Q2Y ADP 0.009062 0.42659 16.7347
72 3RY9 1CA 0.00004227 0.49081 21.6327
73 3GN8 DEX 0.0001096 0.4906 22.0408
74 5UFS 1TA 0.00009278 0.44533 22.0408
75 4E2J MOF 0.0002127 0.43346 22.0408
76 2Q1H AS4 0.00004593 0.47978 22.449
77 5XNA SHV 0.001731 0.45821 22.4638
78 4LSJ LSJ 0.00002482 0.52212 23.2653
79 3BQD DAY 0.00005239 0.5074 23.2653
80 1M2Z BOG 0.003051 0.47321 23.2653
81 1M2Z DEX 0.0002833 0.44193 23.2653
82 1NHZ 486 0.0001934 0.44701 23.6735
83 5G5W R8C 0.0001136 0.42053 23.6735
84 4P6X HCY 0.0003387 0.4685 24.4898
85 4P6W MOF 0.0007706 0.41241 24.4898
86 3KDU NKS 0.0002556 0.51074 26.1224
87 3ET1 ET1 0.0004592 0.45806 26.1224
88 2P54 735 0.001927 0.44328 26.1224
89 3FEI CTM 0.004739 0.422 26.1224
90 2NPA MMB 0.00075 0.40925 26.1224
91 3FUR Z12 0.0008271 0.48352 28.1633
92 3G9E RO7 0.002536 0.44758 28.1633
93 2PRG BRL 0.002508 0.41668 28.1633
94 5NTW 98N 0.0004855 0.47748 30.6122
95 1SR7 MOF 0.0004311 0.48141 31.0204
96 4OAR 2S0 0.0002916 0.47143 31.0204
97 5APK 76E 0.0001445 0.49895 31.4286
98 5APJ 76E 0.0003866 0.48059 31.4286
99 5IXK 6EW 0.0006031 0.43045 31.5789
100 4ZOM 4Q3 0.0002416 0.468 32
101 4DK7 0KS 0.001743 0.41744 33.0612
102 3V49 PK0 0.0001529 0.49238 33.4694
103 3KFC 61X 0.0007869 0.47045 34.6939
104 4S15 4D8 0.0008558 0.42176 35.102
105 1M13 HYF 0.0001779 0.49958 36.3265
106 5LGA 6VH 0.0008113 0.4725 36.7347
107 5E7V M7E 0.0007505 0.46707 36.7347
108 4Q0A 4OA 0.003887 0.40418 36.7347
109 3KMR EQN 0.001258 0.44072 38.3673
110 5K13 6Q7 0.001653 0.43937 38.3673
111 3KMZ EQO 0.00008164 0.42217 38.3673
112 3BEJ MUF 0.0006503 0.41485 38.6555
113 3VRV YSD 0.00008163 0.53527 39.1837
114 5GIC DLC 0.003207 0.43746 39.1837
115 3RUU 37G 0.002217 0.44353 40.1747
116 5ICK FEZ 0.003999 0.4036 40.1747
117 1YYE 196 0.000003646 0.53981 40.4082
118 4DM8 REA 0.0006823 0.45877 40.8163
119 4TUZ 36J 0.00000007887 0.60058 41.6327
120 4MG8 27J 0.0000002707 0.58884 41.6327
121 5DXE EST 0.000001214 0.57754 41.6327
122 3UUD EST 0.00000133 0.57575 41.6327
123 4MGB XDH 0.0000004616 0.57457 41.6327
124 4MG7 27H 0.0000006471 0.56851 41.6327
125 5HYR EST 0.000001525 0.55642 41.6327
126 4MGD 27N 0.000001744 0.55316 41.6327
127 5DX3 EST 0.000001359 0.54803 41.6327
128 4MG9 27K 0.00004312 0.53578 41.6327
129 5DXG EST 0.000004393 0.52797 41.6327
130 4MGA 27L 0.0001448 0.52059 41.6327
131 3UUA 0CZ 0.00004875 0.47556 41.6327
132 4TV1 36M 0.00006213 0.45475 41.6327
133 3UU7 2OH 0.000209 0.4407 41.6327
134 2R40 EPH 0.0005336 0.47244 46.1224
135 2R40 20E 0.001861 0.44235 46.1224
136 1U3R 338 0.000002667 0.54327 48.1328
137 3OLL EST 0.0000004002 0.59112 48.3333
138 2YJD YJD 0.000002898 0.55306 48.3333
139 4J26 EST 0.00000247 0.53819 48.3333
140 4J24 EST 0.000009426 0.51512 48.3333
141 3WFD AXO 0.00713 0.41614 50
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