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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 291 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 247 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 209 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 with APoc: 296
This union binding pocket(no: 1) in the query (biounit: 5unj.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 2WOR 2AN None
3 4RJD TFP None
4 3AQT RCO None
5 5EOB 5QQ None
6 2QZT PLM None
7 2P3B 3TL None
8 2X34 UQ8 None
9 4IS0 1R4 1.24481
10 5ML3 DL3 1.34228
11 5ZUN 9JX 1.63265
12 2A1L PCW 1.63265
13 1P0H ACO 1.63265
14 2CFC KPC 1.63265
15 3KO0 TFP 1.9802
16 4G86 BNT 2.04082
17 4F06 PHB 2.04082
18 6MVU K4V 2.04082
19 6B5Q PPI CZS 2KY MLY 1XY 2.22222
20 1C5C TK4 2.33645
21 1RV1 IMZ 2.35294
22 6A0S NDP 2.44898
23 4IA6 EIC 2.44898
24 3E70 GDP 2.44898
25 1J1R ADE 2.44898
26 1MRH FMC 2.44898
27 1ZED PNP 2.44898
28 4RW3 PLM 2.44898
29 3LXI CAM 2.44898
30 5U97 PIT 2.44898
31 2CIX CEJ 2.44898
32 1TV5 N8E 2.44898
33 1ZPD CIT 2.44898
34 3G4G D71 2.44898
35 4M0R 644 2.44898
36 2BHW NEX 2.58621
37 3G58 988 2.62467
38 4EKQ NPO 2.6738
39 3O01 DXC 2.85714
40 1I0B PEL 2.85714
41 1EWF PC1 2.85714
42 6BMS POV 2.85714
43 2UW1 GVM 2.85714
44 2P1C GG3 2.85714
45 3ZQE DXC 2.85714
46 4ZBR NPS 2.85714
47 4Y9J UCC 2.85714
48 1SJD NPG 2.85714
49 1ZGA HMK 2.85714
50 1XZ3 ICF 2.87356
51 5Z3I ADE 3.01887
52 4O4Z N2O 3.24675
53 6CGN DA 3.26531
54 1XMY ROL 3.26531
55 1T27 PCW 3.26531
56 3WDM ADN 3.26531
57 1XM4 PIL 3.26531
58 1FX8 BOG 3.26531
59 4M73 M72 3.26531
60 4M73 SAH 3.26531
61 2QES ADE 3.26531
62 2ZCQ B65 3.26531
63 4YNU FAD 3.26531
64 2CI5 HCS 3.26531
65 3RV5 DXC 3.37079
66 5UGW GSH 3.42857
67 4UCC ZKW 3.43348
68 5C2H 4PX 3.59116
69 5C2H 4XU 3.59116
70 5OLK DTP 3.67347
71 2MBR FAD 3.67347
72 3CHT 4NB 3.67347
73 4MNS 2AX 3.77358
74 4X6F 3XU 3.80952
75 5M37 9SZ 3.91304
76 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 4
77 5U98 1KX 4.0404
78 5C9J STE 4.0404
79 5IUY BOG 4.08163
80 2F1K NAP 4.08163
81 3HP9 CF1 4.08163
82 1TMX HGX 4.08163
83 4LOC OXM 4.08163
84 4K90 MLA 4.08163
85 2OBF F83 4.08163
86 1XON PIL 4.08163
87 4INB 1F6 4.10959
88 3RK0 AMP 4.21941
89 5FQ0 FLC 4.38596
90 1UVC STE 4.3956
91 5XJ7 87O 4.47761
92 3G5D 1N1 4.4898
93 5LIA 6XN 4.4898
94 2G3F IZC 4.4898
95 2XXP DSL 4.4898
96 1HBK MYR 4.49438
97 5XXH E0D 4.51128
98 3B99 U51 4.89796
99 5IKH 6BW 4.89796
100 5OSW DIU 4.89796
101 3WYJ H78 4.89796
102 3GFZ FMN 4.89796
103 4M52 M52 4.89796
104 3HCN CHD 4.89796
105 3KAL HGS 4.89796
106 2QHD DAO 4.91803
107 1P6O HPY 4.96894
108 4NAT ADP 5
109 4NAT 2W5 5
110 1JH7 UVC 5.29101
111 5LX9 OLB 5.30612
112 5CX6 CDP 5.30612
113 3UP3 XCA 5.34979
114 5OCA 9QZ 5.55556
115 5MWE TCE 5.71429
116 6ADI 9UO 5.71429
117 4CDN FAD 5.71429
118 3ABA FLI 5.71429
119 1UUO BRF 5.71429
120 4ZGM 32M 5.7377
121 5N17 8FK 5.7971
122 3D78 NBB 5.88235
123 4MRP GSH 6.12245
124 5EW9 5VC 6.12245
125 6BR8 6OU 6.12245
126 4KCF AKM 6.12245
127 2OZ5 7XY 6.12245
128 3R9V DXC 6.12245
129 3LDW ZOL 6.12245
130 5V4R MGT 6.17284
131 2E3N 6CM 6.53061
132 5IBE 69M 6.93878
133 5YF9 NIO 6.93878
134 3F3E LEU 6.93878
135 4URX FK1 6.93878
136 3L9R L9Q 7.14286
137 3L9R L9R 7.14286
138 4F7E 0SH 7.14286
139 4DE3 DN8 7.34694
140 1YKI NFZ 7.37327
141 1YKI FMN 7.37327
142 3KU0 ADE 7.7551
143 3V66 D3A 7.7551
144 4TWP AXI 7.7551
145 4JB1 NAP 8.16327
146 3WUR O4B 8.18713
147 4XCP PLM 8.23529
148 6GMN F4E 8.24742
149 4AIA ADK 8.51064
150 1T0S BML 8.57143
151 1GNI OLA 8.57143
152 3QPB URA 8.57143
153 4V3I ASP LEU THR ARG PRO 8.57143
154 5OHJ 9VE 8.57143
155 5N26 CPT 8.79121
156 2VVM PRO 8.97959
157 1QNF HDF 8.97959
158 1QNF FAD 8.97959
159 2XN3 ID8 8.97959
160 6BVK EAV 8.98204
161 6BVM EBV 8.98204
162 2CB8 MYA 9.1954
163 5LWY OLB 9.34579
164 5V3Y 5V8 9.38776
165 3KXC PLM 9.49367
166 2IDO TMP 9.63855
167 1XVB 3BR 9.79592
168 2P3C 3TL 10.101
169 5IKI A9H 10.2041
170 2VPY PCI 10.2564
171 4B7P 9UN 10.4348
172 6CB2 OLC 10.6122
173 5MWY YNU 11.0204
174 5HCV 60R 11.0204
175 2A3I C0R 11.0204
176 4LY9 1YY 11.0204
177 4LY9 S6P 11.0204
178 5L7G 6QE 11.4286
179 4UDB CV7 11.4286
180 5IM3 DTP 11.4286
181 1SZO CAX 11.4286
182 2BCG GER 11.6505
183 5D9J 0N8 11.7647
184 2YLD CMO 11.811
185 3N7S 3N7 12.5
186 2BO4 FLC 12.6531
187 1KZN CBN 12.6829
188 1NF8 BOG 13.0435
189 4K2G 1OQ 13.5294
190 6A56 LAT 14.0244
191 4IAE 1DX 14.2857
192 5C1M OLC 14.4
193 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 14.6939
194 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 15
195 3G08 FEE 15.1515
196 5I0U DCY 16
197 5W7B MYR 16.3121
198 1Z8O DEB 16.3265
199 2Q2Y ADP 16.7347
200 2Q2Y MKR 16.7347
201 1DTL BEP 17.3913
202 3TL1 JRO 17.6101
203 5I8F ML1 18.7879
204 5TVI MYR 20.6522
205 5M36 9SZ 21.0526
206 3RY9 1CA 21.6327
207 2Y69 CHD 21.6495
208 2VWA PTY 21.7822
209 3GN8 DEX 22.0408
210 5UFS 1TA 22.0408
211 4E2J MOF 22.0408
212 2Q1H AS4 22.449
213 5XNA SHV 22.4638
214 1M2Z BOG 23.2653
215 4LSJ LSJ 23.2653
216 3BQD DAY 23.2653
217 1M2Z DEX 23.2653
218 1NHZ 486 23.6735
219 5G5W R8C 23.6735
220 4P6X HCY 24.4898
221 4P6W MOF 24.4898
222 5W97 CHD 24.7059
223 5Z84 CHD 24.7059
224 5ZCO CHD 24.7059
225 5UC1 486 25.2252
226 3KDU NKS 26.1224
227 3ET1 ET1 26.1224
228 2P54 735 26.1224
229 1K7L 544 26.1224
230 2NPA MMB 26.1224
231 3JZB 4HY 26.1224
232 3FEI CTM 26.1224
233 4OGQ 7PH 26.4706
234 4OGQ 1O2 26.4706
235 1N46 PFA 26.5306
236 3FUR Z12 28.1633
237 2HFP NSI 28.1633
238 2PRG BRL 28.1633
239 5NTW 98N 30.6122
240 1SR7 MOF 31.0204
241 4OAR 2S0 31.0204
242 6ESN BWE 31.4286
243 5APK 76E 31.4286
244 5NTP 98E 31.5126
245 5IXK 6EW 31.5789
246 4DK7 0KS 33.0612
247 2AX9 BHM 33.4694
248 3V49 PK0 33.4694
249 3KFC 61X 34.6939
250 4S15 4D8 35.102
251 1M13 HYF 36.3265
252 3IPQ 965 36.3265
253 5A86 D7E 36.3265
254 5LGA 6VH 36.7347
255 5E7V M7E 36.7347
256 4Q0A 4OA 36.7347
257 3L0E G58 37.551
258 5K13 6Q7 38.3673
259 3KMZ EQO 38.3673
260 3KMR EQN 38.3673
261 3BEJ MUF 38.6555
262 3OKI OKI 39.0558
263 3DCT 064 39.1489
264 3VRV YSD 39.1837
265 2O4J VD4 39.1837
266 3RUU 37G 40.1747
267 5ICK FEZ 40.1747
268 1YYE 196 40.4082
269 4DM8 REA 40.8163
270 4OIV XX9 41.1504
271 4TUZ 36J 41.6327
272 4MG8 27J 41.6327
273 5WGD EST 41.6327
274 5HYR EST 41.6327
275 5WGQ EST 41.6327
276 5DX3 EST 41.6327
277 5DXE EST 41.6327
278 3UUD EST 41.6327
279 4MGD 27N 41.6327
280 4MG9 27K 41.6327
281 4MG7 27H 41.6327
282 4MGB XDH 41.6327
283 5DXG EST 41.6327
284 4TV1 36M 41.6327
285 3UUA 0CZ 41.6327
286 3UU7 2OH 41.6327
287 4MGA 27L 41.6327
288 2XSU PIE 42.8571
289 2R40 EPH 46.1224
290 2R40 20E 46.1224
291 2I0G I0G 47.3469
292 1U3R 338 48.1328
293 3OLL EST 48.3333
294 4J26 EST 48.3333
295 2YJD YJD 48.3333
296 4J24 EST 48.3333
297 5AZC PGT 50
298 3WFD AXO 50
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