Receptor
PDB id Resolution Class Description Source Keywords
5MZP 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF STABILIZED A2A ADENOSINE RECEPTOR A2AR- IN COMPLEX WITH CAFFEINE AT 2.1A RESOLUTION HOMO SAPIENS, ESCHERICHIA COLI G-PROTEIN-COUPLED RECEPTOR INTEGRAL MEMBRANE PROTEIN CHIMETHERMOSTABILIZING MUTATIONS MEMBRANE PROTEIN
Ref.: STRUCTURES OF HUMAN A1 AND A2A ADENOSINE RECEPTORS XANTHINES REVEAL DETERMINANTS OF SELECTIVITY. STRUCTURE V. 25 1275 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OLC A:2426;
A:2424;
A:2429;
A:2428;
A:2427;
A:2430;
A:2425;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
356.54 C21 H40 O4 CCCCC...
OLA A:2422;
A:2420;
A:2415;
A:2412;
A:2406;
A:2409;
A:2413;
A:2410;
A:2408;
A:2416;
A:2419;
A:2417;
A:2418;
A:2421;
A:2411;
A:2414;
A:2407;
A:2423;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
282.461 C18 H34 O2 CCCCC...
CLR A:2403;
A:2402;
A:2404;
A:2405;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
386.654 C27 H46 O CC(C)...
NA A:2400;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
CFF A:2401;
 Valid;
 Atoms found MORE than expected: % Diff = 2;
 submit data
194.191 C8 H10 N4 O2 Cn1cn...
TAR A:2431;
 Invalid;
 none;
 submit data
150.087 C4 H6 O6 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OLZ 1.9 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE A2A-STAR2-BRIL562-COMPOUND 4E COMPLEX AT 1. OBTAINED FROM BESPOKE CO-CRYSTALLISATION EXPERIMENTS. HOMO SAPIENS, ESCHERICHIA COLI G-PROTEIN COUPLED RECEPTOR ADENOSINE 2A RECEPTOR 7 TM INTEMEMBRANE PROTEIN THERMOSTABILIZING MUTATIONS MEMBRANE PRO
Ref.: TOWARDS HIGH THROUGHPUT GPCR CRYSTALLOGRAPHY: IN ME SOAKING OF ADENOSINE A2A RECEPTOR CRYSTALS. SCI REP V. 8 41 2018
Members (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 5IU7 Ki = 1.1 nM 6DY C21 H24 N8 O c1ccc(cc1)....
2 6ZDV - QGW C19 H19 N O4 S CCCc1cc2c(....
3 5K2C - ZMA C16 H15 N7 O2 c1cc(oc1)c....
4 4EIY - ZMA C16 H15 N7 O2 c1cc(oc1)c....
5 6JZH - ZMA C16 H15 N7 O2 c1cc(oc1)c....
6 6LPJ - ZMA C16 H15 N7 O2 c1cc(oc1)c....
7 5K2B - ZMA C16 H15 N7 O2 c1cc(oc1)c....
8 5IUA Ki = 1.5 nM 6DX C21 H25 N9 O c1ccc(cc1)....
9 6LPK - ZMA C16 H15 N7 O2 c1cc(oc1)c....
10 5OLV Kd = 320 nM 9Y2 C16 H17 F2 N3 O2 S CC(C)(C)CC....
11 5IU4 Ki = 0.53 nM ZMA C16 H15 N7 O2 c1cc(oc1)c....
12 6PS7 - ZMA C16 H15 N7 O2 c1cc(oc1)c....
13 6LPL - ZMA C16 H15 N7 O2 c1cc(oc1)c....
14 5OM1 Kd = 250 pM T4E C15 H11 Cl N4 O c1ccc(cc1)....
15 5IUB Ki = 0.35 nM 6DV C20 H21 F2 N9 O c1cc(oc1)c....
16 6ZDR - QGE C18 H17 N O4 S CCCc1cc2c(....
17 5K2D - ZMA C16 H15 N7 O2 c1cc(oc1)c....
18 5VRA - ZMA C16 H15 N7 O2 c1cc(oc1)c....
19 5OM4 Kd = 250 pM T4E C15 H11 Cl N4 O c1ccc(cc1)....
20 5IU8 Ki = 18 nM 6DZ C15 H21 N9 O CN1CCN(CC1....
21 5MZP - CFF C8 H10 N4 O2 Cn1cnc2c1C....
22 5MZJ - TEP C7 H8 N4 O2 CN1c2c([nH....
23 5OLG Kd = 2.5 nM ZMA C16 H15 N7 O2 c1cc(oc1)c....
24 5K2A - ZMA C16 H15 N7 O2 c1cc(oc1)c....
25 5OLZ Kd = 250 pM T4E C15 H11 Cl N4 O c1ccc(cc1)....
70% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 5IU7 Ki = 1.1 nM 6DY C21 H24 N8 O c1ccc(cc1)....
2 6ZDV - QGW C19 H19 N O4 S CCCc1cc2c(....
3 5K2C - ZMA C16 H15 N7 O2 c1cc(oc1)c....
4 4EIY - ZMA C16 H15 N7 O2 c1cc(oc1)c....
5 6JZH - ZMA C16 H15 N7 O2 c1cc(oc1)c....
6 6LPJ - ZMA C16 H15 N7 O2 c1cc(oc1)c....
7 5K2B - ZMA C16 H15 N7 O2 c1cc(oc1)c....
8 5IUA Ki = 1.5 nM 6DX C21 H25 N9 O c1ccc(cc1)....
9 6LPK - ZMA C16 H15 N7 O2 c1cc(oc1)c....
10 5OLV Kd = 320 nM 9Y2 C16 H17 F2 N3 O2 S CC(C)(C)CC....
11 5IU4 Ki = 0.53 nM ZMA C16 H15 N7 O2 c1cc(oc1)c....
12 6PS7 - ZMA C16 H15 N7 O2 c1cc(oc1)c....
13 6LPL - ZMA C16 H15 N7 O2 c1cc(oc1)c....
14 5OM1 Kd = 250 pM T4E C15 H11 Cl N4 O c1ccc(cc1)....
15 5IUB Ki = 0.35 nM 6DV C20 H21 F2 N9 O c1cc(oc1)c....
16 6ZDR - QGE C18 H17 N O4 S CCCc1cc2c(....
17 5K2D - ZMA C16 H15 N7 O2 c1cc(oc1)c....
18 5VRA - ZMA C16 H15 N7 O2 c1cc(oc1)c....
19 5OM4 Kd = 250 pM T4E C15 H11 Cl N4 O c1ccc(cc1)....
20 5IU8 Ki = 18 nM 6DZ C15 H21 N9 O CN1CCN(CC1....
21 5MZP - CFF C8 H10 N4 O2 Cn1cnc2c1C....
22 5MZJ - TEP C7 H8 N4 O2 CN1c2c([nH....
23 5OLG Kd = 2.5 nM ZMA C16 H15 N7 O2 c1cc(oc1)c....
24 5K2A - ZMA C16 H15 N7 O2 c1cc(oc1)c....
25 5OLZ Kd = 250 pM T4E C15 H11 Cl N4 O c1ccc(cc1)....
50% Homology Family (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5WIU - AQD C21 H26 Cl N3 O2 C[C@@H]1[C....
2 5WIV - AQD C21 H26 Cl N3 O2 C[C@@H]1[C....
3 5IU7 Ki = 1.1 nM 6DY C21 H24 N8 O c1ccc(cc1)....
4 6ZDV - QGW C19 H19 N O4 S CCCc1cc2c(....
5 5K2C - ZMA C16 H15 N7 O2 c1cc(oc1)c....
6 4EIY - ZMA C16 H15 N7 O2 c1cc(oc1)c....
7 6JZH - ZMA C16 H15 N7 O2 c1cc(oc1)c....
8 6LPJ - ZMA C16 H15 N7 O2 c1cc(oc1)c....
9 5K2B - ZMA C16 H15 N7 O2 c1cc(oc1)c....
10 5IUA Ki = 1.5 nM 6DX C21 H25 N9 O c1ccc(cc1)....
11 6LPK - ZMA C16 H15 N7 O2 c1cc(oc1)c....
12 5OLV Kd = 320 nM 9Y2 C16 H17 F2 N3 O2 S CC(C)(C)CC....
13 5IU4 Ki = 0.53 nM ZMA C16 H15 N7 O2 c1cc(oc1)c....
14 6PS7 - ZMA C16 H15 N7 O2 c1cc(oc1)c....
15 6LPL - ZMA C16 H15 N7 O2 c1cc(oc1)c....
16 5OM1 Kd = 250 pM T4E C15 H11 Cl N4 O c1ccc(cc1)....
17 5IUB Ki = 0.35 nM 6DV C20 H21 F2 N9 O c1cc(oc1)c....
18 6ZDR - QGE C18 H17 N O4 S CCCc1cc2c(....
19 5K2D - ZMA C16 H15 N7 O2 c1cc(oc1)c....
20 5VRA - ZMA C16 H15 N7 O2 c1cc(oc1)c....
21 5OM4 Kd = 250 pM T4E C15 H11 Cl N4 O c1ccc(cc1)....
22 5IU8 Ki = 18 nM 6DZ C15 H21 N9 O CN1CCN(CC1....
23 5MZP - CFF C8 H10 N4 O2 Cn1cnc2c1C....
24 5MZJ - TEP C7 H8 N4 O2 CN1c2c([nH....
25 5OLG Kd = 2.5 nM ZMA C16 H15 N7 O2 c1cc(oc1)c....
26 5K2A - ZMA C16 H15 N7 O2 c1cc(oc1)c....
27 5OLZ Kd = 250 pM T4E C15 H11 Cl N4 O c1ccc(cc1)....
28 4PXZ - 6AD C11 H17 N5 O10 P2 S CSc1nc(c2c....
29 5ZKC Kd = 6.4 nM 3C0 C18 H24 N O4 C[N+]1([C@....
30 5YC8 Kd = 6.4 nM 3C0 C18 H24 N O4 C[N+]1([C@....
31 6RZ7 - KNW C30 H30 Cl F N2 O7 c1cc(c2c(c....
32 6RZ6 - KNW C30 H30 Cl F N2 O7 c1cc(c2c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CFF; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 CFF 1 1
2 D1H 0.574468 0.842105
3 E7R 0.541667 0.872727
4 DW0 0.54 0.827586
5 X0T 0.481481 0.761905
6 M1D 0.464286 0.774194
7 PNX 0.45 0.786885
8 37T 0.411765 0.979592
Similar Ligands (3D)
Ligand no: 1; Ligand: CFF; Similar ligands found: 869
No: Ligand Similarity coefficient
1 MT5 0.9943
2 PHH 0.9852
3 TEP 0.9810
4 9KT 0.9784
5 LI6 0.9763
6 BGC 0.9750
7 BDP 0.9748
8 ISE 0.9708
9 NTZ 0.9694
10 BSP 0.9657
11 GLC 0.9657
12 K6X 0.9652
13 AZ9 0.9647
14 GCB 0.9638
15 GCU 0.9634
16 JUG 0.9632
17 G1O 0.9631
18 HQD 0.9625
19 PFB 0.9623
20 NQ 0.9610
21 VK3 0.9598
22 RPQ 0.9598
23 15L 0.9593
24 0N7 0.9588
25 TOF 0.9584
26 ZVO 0.9583
27 G3F 0.9582
28 RXA 0.9573
29 GCW 0.9572
30 HTP 0.9569
31 HJP 0.9561
32 PYQ 0.9554
33 209 0.9554
34 EVA 0.9545
35 G5V 0.9541
36 GIM 0.9535
37 AEZ 0.9526
38 8S0 0.9526
39 TBS 0.9523
40 H33 0.9519
41 LGC 0.9516
42 3MG 0.9512
43 9MG 0.9508
44 APZ 0.9499
45 INS 0.9496
46 CTS 0.9492
47 5QX 0.9485
48 3WA 0.9481
49 HFB 0.9481
50 KJH 0.9476
51 K17 0.9476
52 12Q 0.9474
53 GCS 0.9473
54 12B 0.9472
55 JBQ 0.9470
56 BCF 0.9465
57 39A 0.9458
58 TTL 0.9454
59 HQT 0.9447
60 IBF 0.9447
61 PCI 0.9445
62 X05 0.9445
63 PXL 0.9444
64 DQN 0.9442
65 DPZ 0.9441
66 CN0 0.9440
67 FDB 0.9438
68 32X 0.9436
69 BBF 0.9434
70 F3B 0.9434
71 7W1 0.9424
72 KBG 0.9424
73 7B3 0.9423
74 B60 0.9422
75 G6D 0.9421
76 PE0 0.9421
77 HNQ 0.9420
78 AZ8 0.9416
79 Q24 0.9414
80 Q6T 0.9412
81 CLZ 0.9410
82 3IT 0.9408
83 INE 0.9405
84 18N 0.9401
85 HZQ 0.9397
86 M5K 0.9393
87 NID 0.9393
88 B57 0.9392
89 AQO 0.9392
90 IJZ 0.9392
91 MT0 0.9392
92 UQ 0.9391
93 495 0.9390
94 X8D 0.9390
95 MEW 0.9388
96 D07 0.9388
97 0P6 0.9387
98 MVL 0.9386
99 BEA 0.9384
100 25W 0.9382
101 4AA 0.9380
102 7ZE 0.9375
103 QX2 0.9374
104 MAQ 0.9374
105 AJ2 0.9372
106 UNC 0.9372
107 GAL 0.9372
108 06B 0.9370
109 NDM 0.9370
110 AKH 0.9369
111 2ZQ 0.9364
112 8CM 0.9364
113 TTY 0.9363
114 QWW 0.9358
115 FOT 0.9356
116 CWS 0.9355
117 4HC 0.9355
118 7NI 0.9354
119 5WY 0.9354
120 42C 0.9354
121 9PY 0.9350
122 4AN 0.9349
123 PQ0 0.9347
124 KUF 0.9346
125 39O 0.9346
126 DBH 0.9342
127 C2U 0.9342
128 3F0 0.9341
129 3HA 0.9339
130 DHQ 0.9339
131 SKA 0.9335
132 3M0 0.9334
133 FE DB1 0.9334
134 A7W 0.9331
135 KJY 0.9329
136 2FQ 0.9328
137 HQY 0.9320
138 DIN 0.9319
139 O72 0.9316
140 AJV 0.9314
141 HHA 0.9307
142 FLV 0.9306
143 5IQ 0.9305
144 5SG 0.9303
145 EA1 0.9303
146 ES1 0.9302
147 67N 0.9301
148 MUA 0.9301
149 24W 0.9301
150 1SQ 0.9299
151 N5J 0.9299
152 226 0.9298
153 GRE 0.9297
154 1LQ 0.9297
155 JPZ 0.9296
156 KIF 0.9296
157 8XQ 0.9296
158 6BL 0.9295
159 5QY 0.9294
160 5Q0 0.9294
161 6F0 0.9293
162 4YS 0.9291
163 G3E 0.9291
164 MRW 0.9289
165 XHP 0.9288
166 I6G 0.9286
167 680 0.9284
168 4ME 0.9284
169 2ZV 0.9283
170 KT7 0.9280
171 4MU 0.9278
172 K8X 0.9277
173 PRF 0.9276
174 M1A 0.9275
175 2AK 0.9273
176 XAN 0.9271
177 F5B 0.9270
178 B62 0.9269
179 44W 0.9260
180 PX7 0.9259
181 GLT 0.9257
182 K32 0.9254
183 GCV 0.9254
184 GUN 0.9253
185 A2F 0.9249
186 ADZ 0.9248
187 J9W 0.9248
188 SOE 0.9246
189 3PF 0.9245
190 9DG 0.9245
191 6AP 0.9244
192 D48 0.9240
193 HLZ 0.9239
194 SE2 0.9237
195 UAN 0.9237
196 AZA 0.9237
197 6M1 0.9237
198 3Z8 0.9235
199 MO8 0.9233
200 IGA 0.9232
201 AZG 0.9232
202 EQT 0.9230
203 X09 0.9228
204 M0W 0.9227
205 LT2 0.9226
206 290 0.9226
207 86J 0.9226
208 K22 0.9225
209 GTZ 0.9225
210 3ID 0.9223
211 ASO 0.9221
212 XXR 0.9221
213 HH8 0.9217
214 LKA 0.9215
215 GDE 0.9214
216 E7Z 0.9214
217 DMD 0.9214
218 28N 0.9210
219 BNT 0.9210
220 141 0.9209
221 0FO 0.9209
222 NDH 0.9208
223 QPR 0.9206
224 EXO 0.9205
225 VNL 0.9205
226 GIO 0.9205
227 DQU 0.9204
228 1NP 0.9202
229 7B4 0.9201
230 CFP 0.9200
231 SHG 0.9199
232 2HQ 0.9199
233 OA3 0.9198
234 DIU 0.9198
235 5WX 0.9198
236 Z5P 0.9197
237 YH7 0.9195
238 ADK 0.9194
239 1XM 0.9193
240 L7T 0.9190
241 GTR 0.9190
242 92K 0.9188
243 DX4 0.9188
244 J5I 0.9188
245 4XH 0.9185
246 1U6 0.9184
247 5RN 0.9183
248 QX4 0.9183
249 OTW 0.9182
250 44V 0.9181
251 5RO 0.9180
252 7VS 0.9177
253 MT8 0.9176
254 5WV 0.9175
255 5M0 0.9175
256 7ME 0.9174
257 8W9 0.9174
258 M1Q 0.9173
259 NOJ 0.9169
260 582 0.9166
261 JBK 0.9166
262 2LY 0.9166
263 YSO 0.9165
264 IV2 0.9164
265 XYP 0.9164
266 R8V 0.9163
267 ADA 0.9163
268 BOA 0.9163
269 N8Y 0.9162
270 PEY 0.9162
271 4Z4 0.9161
272 ASC 0.9159
273 DBJ 0.9159
274 92P 0.9158
275 1KP 0.9158
276 G12 0.9157
277 75K 0.9157
278 DRL 0.9153
279 URC 0.9151
280 C2Y 0.9151
281 DHK 0.9149
282 LCN 0.9146
283 BPU 0.9145
284 SRO 0.9144
285 948 0.9144
286 ISN 0.9141
287 5CU 0.9140
288 UFO 0.9140
289 K3Q 0.9139
290 JU2 0.9139
291 ZYR 0.9138
292 GOX 0.9138
293 0FN 0.9137
294 1XN 0.9137
295 QSH 0.9136
296 BTY 0.9133
297 Q88 0.9131
298 2KA 0.9129
299 TIY 0.9129
300 1P7 0.9128
301 3RK 0.9128
302 0CU 0.9124
303 BCP 0.9124
304 XQ0 0.9123
305 GOG 0.9121
306 6ME 0.9121
307 KGK 0.9120
308 7HQ 0.9117
309 2H5 0.9117
310 CTL 0.9115
311 MVN 0.9114
312 QWN 0.9113
313 5RG 0.9107
314 KKN 0.9107
315 JXW 0.9105
316 FGZ 0.9101
317 HH5 0.9099
318 GT0 0.9099
319 FBT 0.9098
320 329 0.9098
321 2EC 0.9097
322 NOY 0.9097
323 G2F 0.9096
324 5CL 0.9096
325 1LM 0.9095
326 IFL 0.9094
327 7WR 0.9094
328 PH2 0.9094
329 I3A 0.9093
330 8IG 0.9093
331 ES7 0.9092
332 4NC 0.9091
333 JBH 0.9091
334 XAZ 0.9091
335 CBF 0.9089
336 O2A 0.9089
337 GJS 0.9086
338 5NU 0.9085
339 0XT 0.9084
340 SOR 0.9084
341 5JQ 0.9083
342 5B1 0.9082
343 ZZ8 0.9080
344 GM7 0.9080
345 3DO 0.9079
346 BHA 0.9079
347 30G 0.9078
348 03V 0.9078
349 2AQ 0.9077
350 COU 0.9076
351 FBG 0.9076
352 LXC 0.9075
353 JG8 0.9074
354 LDR 0.9074
355 ICO 0.9072
356 JXN 0.9072
357 SWA 0.9071
358 DOB 0.9070
359 0W8 0.9070
360 KFH 0.9070
361 9AP 0.9068
362 M0Q 0.9068
363 4M0 0.9067
364 6GU 0.9067
365 ES0 0.9066
366 I1N 0.9063
367 GTQ 0.9062
368 MS9 0.9061
369 7W4 0.9061
370 DNC 0.9060
371 BE2 0.9060
372 B55 0.9059
373 9FL 0.9058
374 HHR 0.9058
375 F12 0.9058
376 DNF 0.9057
377 6CS 0.9057
378 ES5 0.9055
379 ALL 0.9054
380 EJZ 0.9053
381 4FS 0.9053
382 54G 0.9053
383 B53 0.9051
384 3MA 0.9050
385 OCH 0.9050
386 Q7A 0.9049
387 SKM 0.9047
388 HBO 0.9047
389 AJY 0.9047
390 QBK 0.9046
391 2MN 0.9044
392 DEE 0.9044
393 3FH 0.9043
394 JB5 0.9043
395 1X7 0.9043
396 FA0 0.9043
397 M6N 0.9041
398 3GQ 0.9040
399 ADE 0.9040
400 5NS 0.9040
401 PXM 0.9039
402 M2K 0.9038
403 7VJ 0.9038
404 8TX 0.9033
405 QAT 0.9031
406 5MK 0.9030
407 UEG 0.9029
408 SYV 0.9028
409 WOO 0.9027
410 SAL 0.9026
411 6X9 0.9024
412 CWM 0.9024
413 MQN 0.9024
414 ZZZ 0.9023
415 GZ8 0.9023
416 JKZ 0.9022
417 10L 0.9021
418 4SV 0.9020
419 4JQ 0.9020
420 7WA 0.9019
421 15E 0.9019
422 SX1 0.9018
423 5NE 0.9015
424 ES6 0.9013
425 5JL 0.9006
426 3U4 0.9004
427 R9Y 0.9003
428 BMA 0.9003
429 OXC 0.9003
430 PBR 0.9002
431 2D0 0.9002
432 F1A 0.9002
433 QAS 0.9001
434 HKD 0.9000
435 6VD 0.9000
436 9DA 0.8999
437 M1H 0.8999
438 XX2 0.8998
439 537 0.8994
440 PA1 0.8994
441 MXX 0.8993
442 SXS 0.8993
443 4RU 0.8992
444 H42 0.8990
445 MIG 0.8987
446 9HX 0.8985
447 SVN 0.8985
448 4A3 0.8984
449 GLA 0.8983
450 DNA 0.8983
451 149 0.8983
452 SWD 0.8982
453 0TU 0.8982
454 DX3 0.8980
455 HPA 0.8979
456 BTE 0.8979
457 QXW 0.8978
458 64C 0.8977
459 MYJ 0.8977
460 F05 0.8976
461 K5W 0.8976
462 GXY 0.8975
463 7HP 0.8974
464 DHB 0.8973
465 9TZ 0.8970
466 MZB 0.8970
467 FUL 0.8969
468 MAN 0.8968
469 ORO 0.8968
470 FDR 0.8968
471 2HO 0.8965
472 H6B 0.8964
473 GJP 0.8963
474 INO 0.8963
475 KYD 0.8962
476 7D2 0.8959
477 3J8 0.8959
478 BP1 0.8958
479 JLZ 0.8958
480 H5B 0.8957
481 AA 0.8956
482 ROI 0.8955
483 6MP 0.8953
484 93K 0.8952
485 0RW 0.8952
486 GYE 0.8952
487 NNO 0.8950
488 NPY 0.8948
489 FHB 0.8948
490 GNM 0.8948
491 1GN 0.8947
492 HLR 0.8946
493 23A 0.8946
494 3HM 0.8945
495 FDK 0.8945
496 QUZ 0.8943
497 DPT 0.8943
498 RAM 0.8943
499 P9P 0.8942
500 8WT 0.8942
501 HA7 0.8940
502 ZWZ 0.8940
503 IBM 0.8938
504 LZ2 0.8938
505 4YO 0.8938
506 1HN 0.8937
507 6RQ 0.8937
508 C9E 0.8937
509 4VS 0.8936
510 9EW 0.8936
511 ES4 0.8931
512 42A 0.8930
513 5WU 0.8930
514 6M9 0.8930
515 JR2 0.8928
516 NTM 0.8928
517 1WD 0.8927
518 1IT 0.8926
519 Q77 0.8926
520 RH1 0.8924
521 SVD 0.8924
522 PM6 0.8923
523 5OB 0.8923
524 2FG 0.8922
525 XYS 0.8922
526 1QP 0.8921
527 GSY 0.8921
528 F31 0.8920
529 KJ5 0.8920
530 9CA 0.8919
531 LZM 0.8919
532 QSB 0.8919
533 9TW 0.8918
534 AW5 0.8918
535 ZB1 0.8917
536 GIV 0.8916
537 YIO 0.8916
538 IPB 0.8915
539 ANF 0.8915
540 JBE 0.8915
541 JYB 0.8915
542 23J 0.8914
543 4JT 0.8913
544 JKE 0.8911
545 NGO 0.8911
546 UFV 0.8909
547 1WG 0.8908
548 4KL 0.8906
549 MBG 0.8902
550 DOR 0.8902
551 KJU 0.8900
552 CHB 0.8899
553 XQK 0.8898
554 XXP 0.8892
555 KIB 0.8891
556 GZL 0.8891
557 SHA 0.8890
558 2CQ 0.8889
559 JTH 0.8888
560 6E8 0.8887
561 Q71 0.8886
562 RM1 0.8885
563 FA3 0.8884
564 7WV 0.8882
565 KIA 0.8882
566 8WO 0.8881
567 MM2 0.8880
568 GV9 0.8879
569 6AI 0.8878
570 VXX 0.8877
571 BZ3 0.8877
572 BK9 0.8875
573 BZX 0.8874
574 HIS 0.8874
575 PDC 0.8872
576 LNR 0.8871
577 4XV 0.8871
578 PHT 0.8870
579 3TJ 0.8870
580 YQA 0.8870
581 8MO 0.8870
582 K37 0.8866
583 KLW 0.8864
584 M1E 0.8862
585 XM5 0.8860
586 82I 0.8860
587 AIN 0.8859
588 4TU 0.8859
589 GAF 0.8855
590 APS 0.8854
591 DQA 0.8853
592 5XC 0.8853
593 0HO 0.8852
594 F60 0.8850
595 2CK 0.8850
596 2K4 0.8848
597 SYA 0.8847
598 150 0.8847
599 GXL 0.8846
600 14O 0.8845
601 MHK 0.8845
602 X6X 0.8844
603 LSA 0.8843
604 68A 0.8842
605 7MK 0.8841
606 6M4 0.8840
607 5H1 0.8838
608 E1K 0.8837
609 5GU 0.8835
610 173 0.8834
611 9R5 0.8832
612 4XS 0.8832
613 3C1 0.8830
614 EKZ 0.8826
615 5MB 0.8824
616 DBX 0.8824
617 R6T 0.8824
618 IHB 0.8823
619 M5N 0.8823
620 AMG 0.8823
621 0HN 0.8821
622 JXZ 0.8821
623 K44 0.8821
624 AY4 0.8820
625 DMJ 0.8818
626 FBB 0.8818
627 27B 0.8817
628 MM1 0.8817
629 PQK 0.8816
630 8HC 0.8814
631 0FK 0.8811
632 ARP 0.8811
633 4M4 0.8810
634 ODO 0.8807
635 A29 0.8806
636 V55 0.8806
637 D1X 0.8806
638 BA5 0.8806
639 HXX 0.8805
640 TWO 0.8805
641 5MI 0.8804
642 KBB 0.8804
643 JAE 0.8798
644 2ZM 0.8795
645 B5D 0.8792
646 BHO 0.8791
647 3NY 0.8790
648 AHR 0.8789
649 3R6 0.8787
650 THA 0.8787
651 KYA 0.8785
652 D3M 0.8785
653 5VJ 0.8783
654 36R 0.8781
655 FHN 0.8780
656 3NT 0.8779
657 MWP 0.8778
658 3QV 0.8777
659 3AB 0.8777
660 5HN 0.8776
661 ET2 0.8775
662 3HB 0.8775
663 DIE 0.8775
664 K2T 0.8773
665 8ZE 0.8773
666 5VL 0.8772
667 6NT 0.8771
668 XQG 0.8770
669 NVU 0.8770
670 VNJ 0.8769
671 TC7 0.8769
672 E1T 0.8768
673 GAB 0.8767
674 BZJ 0.8767
675 3DM 0.8766
676 EYK 0.8765
677 A13 0.8765
678 N3W 0.8763
679 0JD 0.8762
680 3C2 0.8761
681 M4E 0.8760
682 0F9 0.8760
683 NPO 0.8760
684 ES9 0.8759
685 ABI 0.8758
686 15N 0.8758
687 NAG 0.8757
688 K68 0.8757
689 45C 0.8756
690 E3D 0.8756
691 MFB 0.8755
692 11S 0.8754
693 3MB 0.8753
694 QNA 0.8752
695 PJW 0.8752
696 FUC 0.8751
697 BPY 0.8751
698 X0V 0.8751
699 VC2 0.8749
700 CLW 0.8749
701 OVV 0.8749
702 2HU 0.8749
703 52C 0.8748
704 1DW 0.8746
705 F4Z 0.8744
706 HA5 0.8740
707 J9Q 0.8737
708 3A9 0.8737
709 GTL 0.8736
710 FK1 0.8735
711 HLD 0.8733
712 8GC 0.8733
713 LDP 0.8732
714 BRV 0.8732
715 TGX 0.8730
716 SYR 0.8730
717 7I2 0.8729
718 L99 0.8729
719 270 0.8729
720 VGD 0.8726
721 54X 0.8725
722 64E 0.8725
723 6QF 0.8724
724 N2I 0.8724
725 AN3 0.8723
726 6NI 0.8721
727 5NI 0.8720
728 GCO 0.8716
729 PRZ 0.8716
730 1P8 0.8716
731 H4N 0.8715
732 1F1 0.8713
733 FUD 0.8712
734 FBV 0.8712
735 4SX 0.8708
736 NDG 0.8708
737 MMA 0.8708
738 EGR 0.8707
739 V1T 0.8706
740 4CS 0.8706
741 TH7 0.8705
742 TFU 0.8704
743 WCE 0.8703
744 1A7 0.8703
745 IFP 0.8702
746 AX7 0.8702
747 7MH 0.8701
748 DRG 0.8698
749 4B0 0.8696
750 97T 0.8695
751 0MK 0.8693
752 5VM 0.8692
753 3BZ 0.8691
754 ES2 0.8691
755 7MX 0.8690
756 ARB 0.8690
757 67X 0.8690
758 PHE 0.8689
759 HMH 0.8688
760 FXH 0.8683
761 53C 0.8680
762 069 0.8680
763 J9T 0.8679
764 PHB 0.8679
765 FYU 0.8678
766 MM5 0.8677
767 JIF 0.8677
768 4V6 0.8677
769 KW8 0.8674
770 9FE 0.8672
771 MR1 0.8672
772 KDV 0.8671
773 F2W 0.8670
774 4FH 0.8667
775 FLC 0.8665
776 FCB 0.8664
777 9LI 0.8662
778 TT4 0.8660
779 ABV 0.8659
780 RNS 0.8658
781 GOO 0.8654
782 BRT 0.8653
783 FB1 0.8652
784 JFD 0.8652
785 RHU 0.8652
786 35C 0.8652
787 8NY 0.8650
788 7MU 0.8650
789 X0W 0.8649
790 HHS 0.8648
791 091 0.8648
792 N0Z 0.8647
793 EN1 0.8645
794 G1P 0.8643
795 NBG 0.8642
796 HQJ 0.8641
797 ONR 0.8640
798 EUG 0.8639
799 XM0 0.8638
800 2MI 0.8636
801 ISZ 0.8636
802 HBD 0.8633
803 4P5 0.8633
804 2A9 0.8633
805 I3C 0.8632
806 DGJ 0.8631
807 T6C 0.8631
808 ESI 0.8630
809 5TY 0.8629
810 PAB 0.8628
811 6XI 0.8624
812 4ZC 0.8622
813 1XA 0.8621
814 3XX 0.8621
815 MFU 0.8620
816 2AL 0.8620
817 B56 0.8618
818 B0K 0.8617
819 W8G 0.8615
820 QIC 0.8615
821 KOJ 0.8614
822 RM4 0.8613
823 1M2 0.8613
824 CCV 0.8610
825 FSW 0.8609
826 NIZ 0.8609
827 8H8 0.8608
828 IND 0.8607
829 JA8 0.8607
830 K97 0.8606
831 FCA 0.8602
832 64K 0.8602
833 CH9 0.8601
834 BZI 0.8600
835 HMU 0.8600
836 DEN 0.8598
837 0W1 0.8597
838 0CT 0.8594
839 MM6 0.8593
840 2GS 0.8592
841 51R 0.8588
842 GVG 0.8586
843 L1Q 0.8585
844 0TR 0.8584
845 W81 0.8584
846 LZ1 0.8579
847 BZF 0.8579
848 MPI 0.8577
849 F9Y 0.8574
850 PD2 0.8574
851 39U 0.8570
852 E35 0.8569
853 2F6 0.8565
854 AZF 0.8564
855 PBZ 0.8562
856 XDE 0.8561
857 826 0.8561
858 8GK 0.8560
859 TXW 0.8558
860 P72 0.8556
861 GF4 0.8556
862 8XL 0.8543
863 P92 0.8542
864 FBU 0.8540
865 3Z7 0.8533
866 AC6 0.8528
867 HX3 0.8528
868 S76 0.8524
869 IDM 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OLZ; Ligand: T4E; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5olz.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
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