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Receptor
PDB id Resolution Class Description Source Keywords
1ERB 1.9 Å NON-ENZYME: TRANSPORT THE INTERACTION OF N-ETHYL RETINAMIDE WITH PLASMA RETINOL-BI PROTEIN (RBP) AND THE CRYSTAL STRUCTURE OF THE RETINOID-RBPA T 1.9 ANGSTROMS RESOLUTION BOS TAURUS RETINOL TRANSPORT
Ref.: THE INTERACTION OF N-ETHYL RETINAMIDE WITH PLASMA RETINOL-BINDING PROTEIN (RBP) AND THE CRYSTAL STRUC THE RETINOID-RBP COMPLEX AT 1.9-A RESOLUTION. J.BIOL.CHEM. V. 268 24873 1993
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ETR A:184;
Valid;
none;
Kd = 8 nM
327.504 C22 H33 N O CCNC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ERB 1.9 Å NON-ENZYME: TRANSPORT THE INTERACTION OF N-ETHYL RETINAMIDE WITH PLASMA RETINOL-BI PROTEIN (RBP) AND THE CRYSTAL STRUCTURE OF THE RETINOID-RBPA T 1.9 ANGSTROMS RESOLUTION BOS TAURUS RETINOL TRANSPORT
Ref.: THE INTERACTION OF N-ETHYL RETINAMIDE WITH PLASMA RETINOL-BINDING PROTEIN (RBP) AND THE CRYSTAL STRUC THE RETINOID-RBP COMPLEX AT 1.9-A RESOLUTION. J.BIOL.CHEM. V. 268 24873 1993
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1FEM - REA C20 H28 O2 CC1=C(C(CC....
2 1RBP Ki = 0.19 uM RTL C20 H30 O CC1=C(C(CC....
3 1KT5 - RTL C20 H30 O CC1=C(C(CC....
4 1ERB Kd = 8 nM ETR C22 H33 N O CCNC(=O)C=....
5 1BRP - RTL C20 H30 O CC1=C(C(CC....
6 5NU8 - PLM C16 H32 O2 CCCCCCCCCC....
7 5NU2 - PLM C16 H32 O2 CCCCCCCCCC....
8 1FEN - AZE C20 H30 CC=C(/C)C=....
9 1HBP - RTL C20 H30 O CC1=C(C(CC....
10 5NTY - PLM C16 H32 O2 CCCCCCCCCC....
11 5NUB - DAO C12 H24 O2 CCCCCCCCCC....
12 1FEL - FEN C26 H33 N O2 CC1=C(C(CC....
13 1KT6 - RTL C20 H30 O CC1=C(C(CC....
14 1AQB - RTL C20 H30 O CC1=C(C(CC....
15 5NU7 - RTL C20 H30 O CC1=C(C(CC....
16 1KT7 - RTL C20 H30 O CC1=C(C(CC....
17 5NU9 - PLM C16 H32 O2 CCCCCCCCCC....
18 5NUA - DAO C12 H24 O2 CCCCCCCCCC....
19 1KT4 - RTL C20 H30 O CC1=C(C(CC....
20 1KT3 - RTL C20 H30 O CC1=C(C(CC....
21 5NU6 - PLM C16 H32 O2 CCCCCCCCCC....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 4O9S ic50 = 0.28 uM 2RY C22 H19 F3 N4 O S c1ccc(c(c1....
2 4PSQ ic50 = 0.44 uM 2WL C21 H21 Cl N4 O c1ccc(cc1)....
3 1FEM - REA C20 H28 O2 CC1=C(C(CC....
4 1RBP Ki = 0.19 uM RTL C20 H30 O CC1=C(C(CC....
5 1KT5 - RTL C20 H30 O CC1=C(C(CC....
6 1ERB Kd = 8 nM ETR C22 H33 N O CCNC(=O)C=....
7 1BRP - RTL C20 H30 O CC1=C(C(CC....
8 5NU8 - PLM C16 H32 O2 CCCCCCCCCC....
9 5NU2 - PLM C16 H32 O2 CCCCCCCCCC....
10 1FEN - AZE C20 H30 CC=C(/C)C=....
11 1HBP - RTL C20 H30 O CC1=C(C(CC....
12 5NTY - PLM C16 H32 O2 CCCCCCCCCC....
13 5NUB - DAO C12 H24 O2 CCCCCCCCCC....
14 1FEL - FEN C26 H33 N O2 CC1=C(C(CC....
15 1KT6 - RTL C20 H30 O CC1=C(C(CC....
16 1AQB - RTL C20 H30 O CC1=C(C(CC....
17 5NU7 - RTL C20 H30 O CC1=C(C(CC....
18 1KT7 - RTL C20 H30 O CC1=C(C(CC....
19 5NU9 - PLM C16 H32 O2 CCCCCCCCCC....
20 5NUA - DAO C12 H24 O2 CCCCCCCCCC....
21 1KT4 - RTL C20 H30 O CC1=C(C(CC....
22 1KT3 - RTL C20 H30 O CC1=C(C(CC....
23 5NU6 - PLM C16 H32 O2 CCCCCCCCCC....
24 1IIU - RTL C20 H30 O CC1=C(C(CC....
50% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 4O9S ic50 = 0.28 uM 2RY C22 H19 F3 N4 O S c1ccc(c(c1....
2 4PSQ ic50 = 0.44 uM 2WL C21 H21 Cl N4 O c1ccc(cc1)....
3 1FEM - REA C20 H28 O2 CC1=C(C(CC....
4 1RBP Ki = 0.19 uM RTL C20 H30 O CC1=C(C(CC....
5 1KT5 - RTL C20 H30 O CC1=C(C(CC....
6 1ERB Kd = 8 nM ETR C22 H33 N O CCNC(=O)C=....
7 1BRP - RTL C20 H30 O CC1=C(C(CC....
8 5NU8 - PLM C16 H32 O2 CCCCCCCCCC....
9 5NU2 - PLM C16 H32 O2 CCCCCCCCCC....
10 1FEN - AZE C20 H30 CC=C(/C)C=....
11 1HBP - RTL C20 H30 O CC1=C(C(CC....
12 5NTY - PLM C16 H32 O2 CCCCCCCCCC....
13 5NUB - DAO C12 H24 O2 CCCCCCCCCC....
14 1FEL - FEN C26 H33 N O2 CC1=C(C(CC....
15 1KT6 - RTL C20 H30 O CC1=C(C(CC....
16 1AQB - RTL C20 H30 O CC1=C(C(CC....
17 5NU7 - RTL C20 H30 O CC1=C(C(CC....
18 1KT7 - RTL C20 H30 O CC1=C(C(CC....
19 5NU9 - PLM C16 H32 O2 CCCCCCCCCC....
20 5NUA - DAO C12 H24 O2 CCCCCCCCCC....
21 1KT4 - RTL C20 H30 O CC1=C(C(CC....
22 1KT3 - RTL C20 H30 O CC1=C(C(CC....
23 5NU6 - PLM C16 H32 O2 CCCCCCCCCC....
24 1IIU - RTL C20 H30 O CC1=C(C(CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ETR; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ETR 1 1
2 RET 0.641791 0.636364
3 FEN 0.625 0.622222
4 RNE 0.614286 0.764706
5 RTL 0.614286 0.638889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ERB; Ligand: ETR; Similar sites found with APoc: 302
This union binding pocket(no: 1) in the query (biounit: 1erb.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1QKQ MAN None
2 1N5S ADL None
3 1W6P NDG GAL None
4 4WUJ FMN None
5 3IWD M2T None
6 1P0Z FLC None
7 3T50 FMN None
8 4HIA FMN None
9 2CHT TSA None
10 5FPX GLY SER SER HIS HIS HIS HIS HIS None
11 3OJI PYV None
12 2ZMF CMP 1.0929
13 5INJ 6C7 1.63934
14 4MOB ADP 1.63934
15 2R5V HHH 1.63934
16 4XCB AKG 1.63934
17 4L9I 8PR 1.63934
18 4QM9 CYS 1.7341
19 2CDO GAL AAL GAL AAL GAL AAL 2.18579
20 4Z3E GAL NGA GLA BGC GAL 2.18579
21 3JU6 ANP 2.18579
22 3Q60 ATP 2.18579
23 5G48 1FL 2.18579
24 4H69 10Y 2.18579
25 3GUZ PAF 2.27273
26 2P3I MNA 2.48447
27 5H9P TD2 2.53165
28 43CA NPO 2.65487
29 1V7R CIT 2.73224
30 5WS9 OXL 2.73224
31 4KBA 1QM 2.73224
32 2OVW CBI 2.73224
33 2JIG PD2 2.73224
34 4J25 OGA 2.73224
35 5EW9 5VC 2.73224
36 3ZGJ RMN 2.73224
37 6AP8 BNY 2.73224
38 4UWJ 7L5 2.73224
39 4UWJ MYA 2.73224
40 3HZL 6PC 2.77078
41 5K21 6QF 2.83688
42 4JH6 FCN 2.89855
43 4L4J NAG NAG BMA MAN NAG 3.16742
44 4MA6 28E 3.18471
45 3DXW ICC 3.27869
46 2XG5 EC2 3.27869
47 2XG5 EC5 3.27869
48 5ISY NAD 3.27869
49 5I0U DCY 3.27869
50 6GVZ CHO 3.27869
51 4ZS4 ATP 3.27869
52 6I6X TLA 3.27869
53 5J75 6GQ 3.27869
54 1F9V ADP 3.27869
55 4W9N TCL 3.27869
56 5GLT BGC GAL NAG GAL 3.27869
57 5X7Q GLC GLC GLC GLC GLC 3.27869
58 3B00 16A 3.27869
59 4CCW VKC 3.27869
60 4XH0 ADP 3.27869
61 4KCT PYR 3.27869
62 1QFT HSM 3.42857
63 1SLT NDG GAL 3.73134
64 4MNS 2AX 3.77358
65 2QX0 PH2 3.77358
66 5W75 SUC 3.82514
67 1RZM E4P 3.82514
68 3P7N FMN 3.82514
69 4QDF 30Q 3.82514
70 1H8S AIC 3.82514
71 4R78 AMP 3.82514
72 5XEG AKG 3.82514
73 1VFS DCS 3.82514
74 1A0T SUC 3.82514
75 1U0A BGC BGC BGC BGC 3.82514
76 5TG5 JW8 3.82514
77 3G08 FEE 3.82514
78 1CHM CMS 3.82514
79 2Z6D FMN 3.84615
80 4RYV ZEA 3.87097
81 1L5Y BEF 3.87097
82 4YLZ LAT NAG GAL 3.92157
83 3WG3 A2G GAL NAG FUC 3.93258
84 4K55 H6P 4.03226
85 2R0H CTO 4.26829
86 4EES FMN 4.34783
87 1ELI PYC 4.37158
88 6E1Q CFA 4.37158
89 2QHV OC9 4.37158
90 5KJW 53C 4.37158
91 2QHS OCA 4.37158
92 5OF1 SAL 4.37158
93 1SQ5 PAU 4.37158
94 1LSH PLD 4.37158
95 3GL0 HXX 4.37158
96 6F6D AKG 4.37158
97 4LHD GLY 4.37158
98 4XDA RIB 4.37158
99 4D1J DGJ 4.37158
100 2WKQ FMN 4.37158
101 5FXD H7Y 4.37158
102 1I1E DM2 4.37158
103 3PDT ADP 4.37158
104 3I7S PYR 4.37158
105 1WW5 SGA BGC 4.375
106 3GM5 CIT 4.40252
107 2P7Q GG6 4.51128
108 1OGX EQU 4.58015
109 1UYY BGC BGC 4.58015
110 5WSY 7UC 4.62428
111 1SWG BTN 4.6875
112 2ZHL NAG GAL GAL NAG 4.72973
113 5AIG VPR 4.8
114 4FFG 0U8 4.91803
115 3NZ1 3NY 4.91803
116 1SDW IYT 4.91803
117 1OFZ FUC 4.91803
118 1OFZ FUL 4.91803
119 5V1B 8UY 4.91803
120 2G50 PYR 4.91803
121 5DBX ANP 4.91803
122 5YAS FAC 4.91803
123 5EO8 TFU 4.91803
124 1Y9Q MED 4.91803
125 1GT4 UNA 5.03145
126 2D6M LBT 5.03145
127 2Z77 HE7 5.03597
128 1WUB OTP 5.05618
129 5H9Q TD2 5.16129
130 5T7I LAT NAG GAL 5.16129
131 5DG2 GAL GLC 5.18518
132 4JNJ BTN 5.21739
133 1Y0G 8PP 5.46448
134 5WL1 D3D 5.46448
135 5WL1 CUY 5.46448
136 5Z46 GST 5.46448
137 5C3R AKG 5.46448
138 5C3R HMU 5.46448
139 3JQ3 ADP 5.46448
140 5VLQ ANP 5.46448
141 3SCH TB6 5.46448
142 5Z46 8XL 5.46448
143 4YMJ 4EJ 5.46448
144 1ZZ7 S0H 5.46448
145 3CV2 OXL 5.46448
146 4BG4 ARG 5.46448
147 5A0U CHT 5.46448
148 3BLI PYR 5.46448
149 2HW1 FRU 5.46448
150 2GVJ DGB 5.46448
151 5F6U 5VK 5.73248
152 3BRN SRO 5.73248
153 5EPA AKG 5.73477
154 1A78 TDG 5.97015
155 5LUN OGA 6.01093
156 2GC0 PAN 6.01093
157 3CF6 SP1 6.01093
158 3H5N ATP 6.01093
159 4EK7 BGC 6.01093
160 3KYF 5GP 5GP 6.01093
161 5H2U 1N1 6.01093
162 1EYE PMM 6.01093
163 4YZ5 SLT 6.01093
164 3ZXE PGZ 6.01504
165 2NNQ T4B 6.10687
166 3KFF XBT 6.17284
167 3KFF ZBT 6.17284
168 6GG9 FMN 6.17284
169 1SU2 ATP 6.28931
170 6FU4 HSM 6.37681
171 1MEX RAC 6.55738
172 5DYO FLU 6.55738
173 5YXC CIT 6.55738
174 1J3R 6PG 6.55738
175 5NBW 8SK 6.55738
176 2VEG PMM 6.55738
177 4S1D 41M 6.55738
178 2WSA MYA 6.55738
179 2WSA 646 6.55738
180 2DDQ HRB 6.55738
181 4H2V AMP 6.55738
182 1IA9 ANP 6.55738
183 4AZC NGW 6.55738
184 4D4U FUC NDG GAL FUC 6.55738
185 1LNM DTX 6.55738
186 2V0U FMN 6.84932
187 2YMZ LAT 6.92308
188 2Z6C FMN 6.97674
189 2YKL NLD 7.10383
190 6GW4 CHO 7.10383
191 3ZJX BOG 7.10383
192 6EWZ APC 7.10383
193 1OH2 SUC 7.10383
194 5TH5 MET 7.10383
195 5ACM MBT 7.20721
196 2W5P CL8 7.38255
197 5NKN LOC 7.47126
198 6FA4 D1W 7.51445
199 4QYN RTL 7.5188
200 1SQL GUN 7.53425
201 4B1M FRU FRU 7.56757
202 5YJS SAL 7.65027
203 3T4L ZEA 7.65027
204 6D61 4AA 7.65027
205 3MI3 LYS 7.65027
206 3W21 AKG 7.65027
207 5TZO 7V7 7.65027
208 6DW2 HD4 7.65027
209 5HWV MBN 7.69231
210 3QDV NDG 7.69231
211 4R38 RBF 7.85714
212 5NLD LBT 7.91367
213 2AG4 LP3 7.92683
214 2AG4 OLA 7.92683
215 1Y7P RIP 8.07175
216 4H6B 10Y 8.19672
217 4H6B 10X 8.19672
218 5TCI MLI 8.19672
219 2I6A 5I5 8.19672
220 3O2K DST 8.19672
221 4CSD MFU 8.19672
222 4Z2S NDG 8.4507
223 4Z2S NAG 8.4507
224 2OFD NGA 8.4507
225 2YNE YNE 8.74317
226 2YNE NHW 8.74317
227 3GNP SOG 8.74317
228 5SVV FMN 8.75912
229 6GBV FMN 8.90411
230 5YW5 ADE 8.93855
231 2PR5 FMN 9.09091
232 3ZW2 NAG GAL FUC 9.1954
233 3ZW0 FUC 9.1954
234 4UHL VFV 9.28962
235 4M44 SIA GAL NAG GAL 9.34066
236 3A76 SPD 9.65909
237 4RD0 GDP 9.83607
238 3B1Q NOS 9.83607
239 5L6G XYP 9.83607
240 3VV1 GAL FUC 10
241 5OO5 UUA 10.4839
242 1Y2W NAG 10.5634
243 4XIZ LPP 10.5882
244 4RF7 ARG 10.929
245 3RGA LSB 10.929
246 3TFC PEP 10.929
247 2CM4 RCL 11.3333
248 3STK PLM 11.3636
249 3H0L ADP 11.4754
250 4GCZ FMN 11.4754
251 4D52 GXL 11.4754
252 4CU7 GIF 11.4754
253 4D52 GIV 11.4754
254 4IP7 FLC 11.4754
255 5EFW FMN 11.6667
256 4WOE ADP 12.0219
257 2VL1 GLY GLY 12.0219
258 1MH5 HAL 12.0219
259 5L2R MLA 12.0219
260 1MJJ HAL 12.0219
261 2YG2 S1P 12.2093
262 3WUC GLC GAL 12.4088
263 3M3E GAL A2G NPO 12.4224
264 3WUD GLC GAL 12.5
265 1DZK PRZ 12.7389
266 4NAE 1GP 13.1148
267 5OES ADP 13.1148
268 2HRL SIA GAL SIA BGC NGA CEQ 13.3858
269 2ET1 GLV 13.6612
270 4EE7 PIS 13.6612
271 4CCN OGA 13.6612
272 2G30 ALA ALA PHE 14.2077
273 4CCK OGA 14.2077
274 6G5Q EMZ 14.2077
275 1I82 BGC BGC 14.7541
276 4U0W 16G 14.7541
277 5ML3 DL3 14.7651
278 4ZSI 4R1 15.2047
279 4ZSI GLP 15.2047
280 1GQG DCD 15.3005
281 5MRH Q9Z 15.847
282 3A6T 8OG 16.2791
283 4RKC PMP 16.3934
284 5DJT FMN 16.3934
285 6F7X MFU 16.6667
286 1VRP ADP 17.4863
287 5KEW 6SB 18.0556
288 5V3D FCN 18.6207
289 5JSP DQY 19.6721
290 2NZ2 CIR 20.765
291 3ZDS HQ9 20.765
292 3CBC DBS 26.7677
293 4IAW LIZ 28.4153
294 4H2X G5A 29.1262
295 4H2W AMP 29.1262
296 4H2W 5GP 29.1262
297 3SAO DBH 29.375
298 3SAO NKN 29.375
299 6GR0 F8W 29.8851
300 5HA0 LTD 34.6154
301 2OVD DAO 38.4615
302 2HZQ STR 40.2299
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