-->
Receptor
PDB id Resolution Class Description Source Keywords
2LBD 2.06 Å NON-ENZYME: TRANSCRIPT_TRANSLATE LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO ALL-TRANS RETINOIC ACID HOMO SAPIENS NUCLEAR RECEPTOR RETINOIC ACID RECEPTOR ALL-TRANS RETINOIC ACID LIGAND-BINDING DOMAIN COMPLEX HOLO FORM TRANSCRIPTION REGULATION LIGAND-DEPENDENT ACTIVE CONFORMATION STRUCTURAL PROTEOMICS IN EUROPE SPINE STRUCTURAL GENOMICS
Ref.: CRYSTAL STRUCTURE OF THE RAR-GAMMA LIGAND-BINDING DOMAIN BOUND TO ALL-TRANS RETINOIC ACID. NATURE V. 378 681 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
REA A:500;
Valid;
none;
submit data
300.435 C20 H28 O2 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2LBD 2.06 Å NON-ENZYME: TRANSCRIPT_TRANSLATE LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO ALL-TRANS RETINOIC ACID HOMO SAPIENS NUCLEAR RECEPTOR RETINOIC ACID RECEPTOR ALL-TRANS RETINOIC ACID LIGAND-BINDING DOMAIN COMPLEX HOLO FORM TRANSCRIPTION REGULATION LIGAND-DEPENDENT ACTIVE CONFORMATION STRUCTURAL PROTEOMICS IN EUROPE SPINE STRUCTURAL GENOMICS
Ref.: CRYSTAL STRUCTURE OF THE RAR-GAMMA LIGAND-BINDING DOMAIN BOUND TO ALL-TRANS RETINOIC ACID. NATURE V. 378 681 1995
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 2LBD - REA C20 H28 O2 CC1=C(C(CC....
2 4LBD - 961 C23 H26 F N O4 CC1(CCC(c2....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 1FCZ Kd = 0.6 nM 156 C24 H26 O3 CC1(CCC(c2....
2 1FD0 Kd ~ 4 nM 254 C26 H27 N O3 CC1(CCC(c2....
3 1FCX Kd = 64 nM 184 C26 H28 O3 CC1(CCC(c2....
4 1EXA - 394 C23 H26 F N O4 CC1(CCC(c2....
5 1EXX - 961 C23 H26 F N O4 CC1(CCC(c2....
6 3LBD - REA C20 H28 O2 CC1=C(C(CC....
7 5M24 - 9CR C20 H28 O2 CC1=C(C(CC....
8 1FCY Kd = 3 nM 564 C26 H26 O3 CC1(CCC(c2....
9 5K13 Ki = 1.8 nM 6Q7 C27 H26 N2 O4 S CC(C)(C)c1....
10 1XAP Kd = 2.5 nM TTB C24 H28 O2 C/C(=Cc1cc....
11 2LBD - REA C20 H28 O2 CC1=C(C(CC....
12 4LBD - 961 C23 H26 F N O4 CC1(CCC(c2....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3ILZ - B72 C20 H24 O4 Cc1cc(cc(c....
2 1FCZ Kd = 0.6 nM 156 C24 H26 O3 CC1(CCC(c2....
3 1FD0 Kd ~ 4 nM 254 C26 H27 N O3 CC1(CCC(c2....
4 1FCX Kd = 64 nM 184 C26 H28 O3 CC1(CCC(c2....
5 1EXA - 394 C23 H26 F N O4 CC1(CCC(c2....
6 1EXX - 961 C23 H26 F N O4 CC1(CCC(c2....
7 6FX0 - E9T C27 H26 O3 c1cc(cc2c1....
8 1N46 Ki = 0.03 nM PFA C20 H21 N3 O4 Cc1cc(cc(c....
9 2PIN - LEG C15 H20 O CCCCCCc1cc....
10 3GWS - T3 C15 H12 I3 N O4 c1cc(c(cc1....
11 2J4A - OEF C18 H18 Br2 O4 CC(C)c1cc(....
12 3D57 - 4HY C14 H9 I3 O4 c1cc(c(cc1....
13 5K13 Ki = 1.8 nM 6Q7 C27 H26 N2 O4 S CC(C)(C)c1....
14 2LBD - REA C20 H28 O2 CC1=C(C(CC....
15 4LBD - 961 C23 H26 F N O4 CC1(CCC(c2....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: REA; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 REA 1 1
2 9CR 1 1
3 BCR 0.724138 0.730769
4 RET 0.704918 0.84
5 AZE 0.7 0.76
6 RTL 0.671875 0.758621
7 ECH 0.589041 0.724138
8 45D 0.410959 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2LBD; Ligand: REA; Similar sites found with APoc: 238
This union binding pocket(no: 1) in the query (biounit: 2lbd.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 1HBK MYR None
3 5XNA SHV None
4 5N8V KZZ None
5 5DKK FMN None
6 2Z6D FMN None
7 2F2G HMH 0.904977
8 2Q4X HMH 0.904977
9 6D28 NEC 1.49813
10 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.87266
11 5OHJ 9VE 1.87266
12 1H0A I3P 1.89873
13 6BR8 6OU 1.98413
14 3I6B KDO 2.22222
15 1NE7 16G 2.24719
16 1TV5 N8E 2.24719
17 5CX8 TG6 2.24719
18 5LUN ARG 2.24719
19 3R9V DXC 2.24719
20 5V6F MAN BMA MAN 2.24719
21 4G17 0VN 2.24719
22 5NM7 GLY 2.25564
23 2VL1 GLY GLY 2.32068
24 3KU0 ADE 2.39044
25 4JWK CTN 2.59067
26 1Q7E MET 2.62172
27 3V1S 0LH 2.62172
28 2QES ADE 2.68199
29 2WTN FER 2.78884
30 3GUZ PAF 2.84091
31 3WXL ADP 2.89575
32 4XNV BUR 2.99625
33 4GV4 MEJ 2.99625
34 5VRH OLB 2.99625
35 3HYW DCQ 2.99625
36 5EDE 5M6 2.99625
37 3NJQ NJQ 3.10881
38 4P3H 25G 3.10881
39 1VR0 3SL 3.23887
40 5Y79 3PG 3.34347
41 5LX9 OLB 3.37079
42 1PX8 XYP 3.37079
43 4MRP GSH 3.37079
44 5B25 4QJ 3.37079
45 3O01 DXC 3.57143
46 5CQG 55C 3.74532
47 2XUA SHF 3.7594
48 4WGF HX2 3.90244
49 5EXA 5SO 3.91304
50 3AQT RCO 4.08163
51 4G86 BNT 4.11985
52 6DIO CIT 4.11985
53 3HP9 CF1 4.11985
54 3B99 U51 4.11985
55 1RQH PYR 4.11985
56 4M51 BEZ 4.11985
57 1AUA BOG 4.11985
58 4DE3 DN8 4.18251
59 2BHW NEX 4.31034
60 1N8V BDD 4.46429
61 4D4U FUC NDG GAL FUC 4.49438
62 4RYV ZEA 4.51613
63 1SBZ FMN 4.56853
64 1N9L FMN 4.58716
65 4V1F BQ1 4.65116
66 5NCB JZ3 4.86891
67 3P2H MTA 4.86891
68 3ZJX BOG 4.86891
69 5Z3I ADE 4.90566
70 5N26 73M 4.94506
71 3KO0 TFP 4.9505
72 6FS0 E4W 5.04587
73 5AZC PGT 5.24345
74 5TI9 NFK 5.24345
75 6BR9 6OU 5.24345
76 4QGE 35O 5.24345
77 3GWN FAD 5.26316
78 4IAE 1DX 5.29101
79 1NF8 BOG 5.31401
80 2QCX PF1 5.32319
81 3CYI ATP 5.45455
82 2Q8G AZX 5.61798
83 5FPE 3TR 5.61798
84 5FPN KYD 5.61798
85 2QJY UQ2 5.88235
86 4O4Z N2O 5.99251
87 5UC4 83S 5.99251
88 2WKQ FMN 5.99251
89 1YC4 43P 6.06061
90 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 6.27615
91 5UC9 MYR 7.07965
92 3BJC WAN 7.11611
93 1RL4 BL5 7.44681
94 5LWY OLB 7.56302
95 5EFW FMN 7.58621
96 5DJT FMN 7.58621
97 5DJU FMN 7.58621
98 2D5X L35 7.80142
99 4RW3 DKA 7.86517
100 4URX FK1 7.86517
101 5OSW DIU 7.86517
102 6BVK EAV 7.86517
103 6BVM EBV 7.86517
104 3TKY N7I 7.86517
105 4RW3 PLM 7.86517
106 6D5J FV4 7.86517
107 6D5H FV7 7.86517
108 3G08 FEE 8.08081
109 3DBX PLM 8.08081
110 5WL1 D3D 8.08081
111 3BRE C2E 8.2397
112 4RQL SNE 8.2397
113 3RDE OYP 8.2397
114 3SHZ 5CO 8.2397
115 2HFK E4H 8.2397
116 2P39 SCR 8.3871
117 2OZ5 7XY 8.61423
118 2YLD CMO 8.66142
119 4OGQ 7PH 8.98876
120 1GNI OLA 8.98876
121 3GXO MQA 8.98876
122 5J32 IPM 8.98876
123 4OGQ 1O2 8.98876
124 2WOR 2AN 9
125 2W9S TOP 9.31677
126 1A05 IPM 9.73783
127 4V2O CLQ 9.7561
128 1DTL BEP 9.93789
129 3UP3 XCA 10.2881
130 2BCG GER 10.6796
131 3X1M COA 10.6918
132 3RMK BML 10.8434
133 5OKL PAM 10.8614
134 5Z84 CHD 11.7647
135 5ZCO PSC 11.7647
136 5W97 CHD 11.7647
137 5C1M OLC 11.8243
138 3RUG DB6 12.0332
139 2V0U FMN 12.3288
140 3NB0 G6P 12.3596
141 3X27 TRP 12.7341
142 1M48 FRG 12.782
143 1SBR VIB 13
144 5Y02 MXN 13.0841
145 5Y02 HBX 13.0841
146 4RJD TFP 13.6364
147 2CB8 MYA 13.7931
148 5G5W R8C 14.2322
149 1NHZ 486 14.2322
150 3TDC 0EU 14.6067
151 4LSJ LSJ 14.7287
152 1M2Z DEX 14.786
153 1M2Z BOG 14.786
154 4P6X HCY 14.902
155 3BQD DAY 14.902
156 4P6W MOF 15.0794
157 3RY9 1CA 15.2
158 5F1V 3VN 15.3558
159 4E2J MOF 15.6
160 3GN8 DEX 15.6627
161 5UFS 1TA 15.7258
162 3V49 PK0 16.1654
163 5KAU RHQ 16.3636
164 2AX9 BHM 16.7969
165 5UC1 486 17.1171
166 1ZEI CRS 18.8679
167 6CB2 OLC 19.1011
168 5LXT GDP 19.5804
169 5LXT 7AK 19.5804
170 6GMN F4E 20.1923
171 4OAR 2S0 20.5993
172 1SR7 MOF 20.5993
173 5MWY YNU 20.9738
174 5L7G 6QE 21.3483
175 4UDB CV7 21.3483
176 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 21.3483
177 2Q1H AS4 27.3408
178 5HCV 60R 34.2412
179 2A3I C0R 34.7826
180 1YYE 196 34.8315
181 1M13 HYF 35.5805
182 2I0G I0G 36.1868
183 3KDU NKS 36.3296
184 3SP6 IL2 36.3296
185 2P54 735 36.7041
186 5DXG EST 37.4532
187 5DX3 EST 37.4532
188 5WGD EST 37.4532
189 5WGQ EST 37.4532
190 5DXE EST 37.4532
191 3FUR Z12 37.4532
192 3G9E RO7 37.4532
193 5TWO 7MV 37.4532
194 2PRG BRL 37.4532
195 5HYR EST 37.5969
196 4MGA 27L 38.0392
197 4MG9 27K 38.0392
198 4MGD 27N 38.0392
199 4MG7 27H 38.0392
200 4MGB XDH 38.0392
201 4MG8 27J 38.0392
202 4TUZ 36J 38.0392
203 5NTP 98E 38.2353
204 1U3R 338 38.5892
205 3UUD EST 38.6454
206 3UU7 2OH 38.6454
207 4TV1 36M 38.6454
208 3UUA 0CZ 38.6454
209 4J26 EST 38.75
210 3OLL EST 38.75
211 2YJD YJD 38.75
212 3BEJ MUF 39.0756
213 2R40 20E 39.4737
214 2R40 EPH 39.4737
215 3DCT 064 39.5745
216 5IXK 6EW 39.9123
217 3OKI OKI 39.9142
218 5ICK FEZ 40.6114
219 3RUU 37G 40.6114
220 5LGA 6VH 41.9476
221 5E7V M7E 41.9476
222 4Q0A 4OA 41.9476
223 4J24 EST 42.1053
224 3H0A 9RA 42.5439
225 4OIV XX9 43.3628
226 6A5Y 9CR 43.4211
227 6A5Y 9R0 43.4211
228 6ESN BWE 43.4457
229 4DK7 0KS 44.5344
230 5NTW 98N 44.7471
231 3L0E G58 45.0593
232 3KFC 61X 45.0593
233 4S15 4D8 45.3125
234 2O4J VD4 47.9401
235 1RDT L79 48.6891
236 1RDT 570 48.6891
237 3VRV YSD 49.8127
238 5XPL 8C9 49.8127
APoc FAQ
Feedback