Receptor
PDB id Resolution Class Description Source Keywords
5A5O 2.04 Å EC: 3.6.1.3 CRYSTAL STRUCTURE OF HUMAN ATAD2 BROMODOMAIN IN COMPLEX WITH 3-METHYL-1,2-DIHYDROQUINOLIN-2-ONE HOMO SAPIENS HYDROLASE INHIBITOR ATAD2 BROMODOMAIN EPIGENETICS
Ref.: FRAGMENT-BASED DISCOVERY OF LOW-MICROMOLAR ATAD2 BROMODOMAIN INHIBITORS. J.MED.CHEM. V. 58 5649 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:2109;
A:2111;
A:2110;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
J5I A:2112;
 Valid;
 none;
 submit data
159.185 C10 H9 N O CC1=C...
SO4 A:2113;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6HDN 1.9 Å EC: 3.6.1.3 CRYSTAL STRUCTURE OF HUMAN ATAD2 BROMODOMAIN IN COMPLEX WITH 8-((8-METHYL-8-AZABICYCLOOCTAN-3-YL)AMINO)-1,7-NAPHTHYRIDIN HOMO SAPIENS INHIBITOR ATAD2 BROMODOMAIN EPIGENETICS ATPASE FAMILY AACONTAINING PROTEIN 2 TRANSCRIPTION
Ref.: AIMING TO MISS A MOVING TARGET: BROMO AND EXTRA TER DOMAIN (BET) SELECTIVITY IN CONSTRAINED ATAD2 INHIB J. MED. CHEM. V. 61 8321 2018
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5A5R ic50 = 1.3 uM NP8 C20 H23 N5 O2 CC1=Cc2c(c....
2 5A82 ic50 = 2.51 uM YEJ C20 H28 N4 O4 S CC1=Cc2ccn....
3 5A5Q Kd = 21 uM 6XC C14 H18 N4 O CC1=Cc2ccn....
4 6S55 - KW5 C17 H21 Br N4 O5 S C[C@H]1CCC....
5 5A81 Kd = 2.9 uM 78J C21 H30 N4 O2 CC1=Cc2ccn....
6 5A5P ic50 = 0.1 mM JTF C14 H19 N3 O CC1=Cc2ccc....
7 4TU4 Kd = 175 uM 37N C18 H16 N2 O5 S Cc1c(c(on1....
8 4TZ8 Kd = 500 uM 39U C9 H13 N3 O S CC1(Cc2c(s....
9 5A5O - J5I C10 H9 N O CC1=Cc2ccc....
10 6HDN ic50 = 3.16 uM FZB C17 H22 N4 O CC1=Cc2ccn....
11 6S57 - KVT C20 H28 N4 O5 S Cc1ccc(cc1....
12 5A5N - 8WS C11 H21 N3 O3 CC(=O)NCCC....
13 4TTE Kd = 202 uM 36Z C13 H14 N2 O3 Cc1c(c(on1....
14 4TYL Kd = 600 uM 39O C10 H13 N3 O Cc1cc2c(cc....
15 4TZ2 Kd = 350 uM 39R C14 H12 N4 c1ccc(cc1)....
16 5A83 ic50 = 0.158 uM YD3 C27 H34 N4 O4 S Cc1cc(cnc1....
17 5LJ0 ic50 = 0.00000001 M 6XX C28 H35 F2 N5 O3 Cc1cc(cnc1....
18 6S56 - KVZ C22 H23 Cl N4 O5 S CN(C)S(=O)....
70% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5A5R ic50 = 1.3 uM NP8 C20 H23 N5 O2 CC1=Cc2c(c....
2 5A82 ic50 = 2.51 uM YEJ C20 H28 N4 O4 S CC1=Cc2ccn....
3 5A5Q Kd = 21 uM 6XC C14 H18 N4 O CC1=Cc2ccn....
4 6S55 - KW5 C17 H21 Br N4 O5 S C[C@H]1CCC....
5 5A81 Kd = 2.9 uM 78J C21 H30 N4 O2 CC1=Cc2ccn....
6 5A5P ic50 = 0.1 mM JTF C14 H19 N3 O CC1=Cc2ccc....
7 4TU4 Kd = 175 uM 37N C18 H16 N2 O5 S Cc1c(c(on1....
8 4TZ8 Kd = 500 uM 39U C9 H13 N3 O S CC1(Cc2c(s....
9 5A5O - J5I C10 H9 N O CC1=Cc2ccc....
10 6HDN ic50 = 3.16 uM FZB C17 H22 N4 O CC1=Cc2ccn....
11 6S57 - KVT C20 H28 N4 O5 S Cc1ccc(cc1....
12 5A5N - 8WS C11 H21 N3 O3 CC(=O)NCCC....
13 4TTE Kd = 202 uM 36Z C13 H14 N2 O3 Cc1c(c(on1....
14 4TYL Kd = 600 uM 39O C10 H13 N3 O Cc1cc2c(cc....
15 4TZ2 Kd = 350 uM 39R C14 H12 N4 c1ccc(cc1)....
16 5A83 ic50 = 0.158 uM YD3 C27 H34 N4 O4 S Cc1cc(cnc1....
17 5LJ0 ic50 = 0.00000001 M 6XX C28 H35 F2 N5 O3 Cc1cc(cnc1....
18 6S56 - KVZ C22 H23 Cl N4 O5 S CN(C)S(=O)....
19 6VEO - YD4 C26 H33 N5 O4 S Cc1cc(cnc1....
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5A5R ic50 = 1.3 uM NP8 C20 H23 N5 O2 CC1=Cc2c(c....
2 5A82 ic50 = 2.51 uM YEJ C20 H28 N4 O4 S CC1=Cc2ccn....
3 5A5Q Kd = 21 uM 6XC C14 H18 N4 O CC1=Cc2ccn....
4 6S55 - KW5 C17 H21 Br N4 O5 S C[C@H]1CCC....
5 5A81 Kd = 2.9 uM 78J C21 H30 N4 O2 CC1=Cc2ccn....
6 5A5P ic50 = 0.1 mM JTF C14 H19 N3 O CC1=Cc2ccc....
7 4TU4 Kd = 175 uM 37N C18 H16 N2 O5 S Cc1c(c(on1....
8 4TZ8 Kd = 500 uM 39U C9 H13 N3 O S CC1(Cc2c(s....
9 5A5O - J5I C10 H9 N O CC1=Cc2ccc....
10 6HDN ic50 = 3.16 uM FZB C17 H22 N4 O CC1=Cc2ccn....
11 6S57 - KVT C20 H28 N4 O5 S Cc1ccc(cc1....
12 5A5N - 8WS C11 H21 N3 O3 CC(=O)NCCC....
13 4TTE Kd = 202 uM 36Z C13 H14 N2 O3 Cc1c(c(on1....
14 4TYL Kd = 600 uM 39O C10 H13 N3 O Cc1cc2c(cc....
15 4TZ2 Kd = 350 uM 39R C14 H12 N4 c1ccc(cc1)....
16 5A83 ic50 = 0.158 uM YD3 C27 H34 N4 O4 S Cc1cc(cnc1....
17 5LJ0 ic50 = 0.00000001 M 6XX C28 H35 F2 N5 O3 Cc1cc(cnc1....
18 6S56 - KVZ C22 H23 Cl N4 O5 S CN(C)S(=O)....
19 6VEO - YD4 C26 H33 N5 O4 S Cc1cc(cnc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: J5I; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 J5I 1 1
2 G3E 0.511111 0.694444
Similar Ligands (3D)
Ligand no: 1; Ligand: J5I; Similar ligands found: 1089
No: Ligand Similarity coefficient
1 D48 1.0000
2 3PF 1.0000
3 5QY 1.0000
4 SE2 0.9999
5 3ID 0.9823
6 DMD 0.9810
7 6RQ 0.9758
8 AZ9 0.9723
9 COU 0.9720
10 H42 0.9720
11 OCH 0.9715
12 15E 0.9697
13 LT2 0.9696
14 HQD 0.9692
15 HIS 0.9691
16 0N7 0.9688
17 2AQ 0.9681
18 03V 0.9681
19 QXW 0.9670
20 ES5 0.9659
21 BGC 0.9657
22 4FS 0.9655
23 9FL 0.9644
24 JB5 0.9639
25 5WV 0.9639
26 9CA 0.9637
27 ISN 0.9617
28 2HQ 0.9607
29 KKN 0.9600
30 4JQ 0.9595
31 JG8 0.9591
32 1IT 0.9589
33 SYV 0.9586
34 MQN 0.9585
35 AJV 0.9580
36 QWN 0.9570
37 KJU 0.9569
38 ES7 0.9556
39 0TU 0.9551
40 JLZ 0.9551
41 KUF 0.9549
42 TTL 0.9542
43 4YO 0.9540
44 7W4 0.9536
45 86J 0.9534
46 2FQ 0.9530
47 4NC 0.9525
48 INO 0.9525
49 0P6 0.9518
50 A29 0.9517
51 DHB 0.9516
52 CWS 0.9515
53 DIN 0.9510
54 4A3 0.9508
55 173 0.9507
56 XX2 0.9505
57 ES2 0.9504
58 E7Z 0.9500
59 XQ0 0.9499
60 P9P 0.9499
61 MYJ 0.9496
62 4AA 0.9496
63 2HO 0.9493
64 3HM 0.9493
65 FBB 0.9490
66 HQJ 0.9490
67 93K 0.9489
68 5GU 0.9487
69 FHB 0.9486
70 AJ2 0.9486
71 4P5 0.9484
72 K2T 0.9483
73 GLC 0.9482
74 ET2 0.9481
75 1P8 0.9481
76 8CM 0.9480
77 PXL 0.9480
78 3QV 0.9477
79 A7W 0.9476
80 N2I 0.9475
81 4Z4 0.9472
82 CH9 0.9469
83 CLW 0.9468
84 5QX 0.9468
85 PE0 0.9464
86 36R 0.9463
87 J9W 0.9457
88 39O 0.9456
89 EN1 0.9456
90 J9Q 0.9456
91 12Q 0.9455
92 DE5 0.9453
93 KJH 0.9451
94 M6N 0.9451
95 NNO 0.9451
96 PHB 0.9451
97 MEW 0.9449
98 F31 0.9449
99 NPO 0.9446
100 4JT 0.9445
101 Q24 0.9443
102 L99 0.9442
103 NPY 0.9441
104 7W1 0.9440
105 1P7 0.9439
106 HBD 0.9439
107 BHO 0.9438
108 AN3 0.9436
109 MPV 0.9435
110 0BP 0.9435
111 TOF 0.9434
112 XHP 0.9434
113 CTL 0.9431
114 QUZ 0.9429
115 VGD 0.9428
116 M5K 0.9427
117 GVG 0.9427
118 9TW 0.9426
119 97T 0.9426
120 AZ8 0.9425
121 EA1 0.9424
122 E7S 0.9424
123 CHB 0.9423
124 L5V 0.9423
125 PBZ 0.9419
126 QSB 0.9417
127 4WL 0.9417
128 6NT 0.9417
129 AQO 0.9415
130 6M9 0.9413
131 BZJ 0.9412
132 PIY 0.9411
133 M1Q 0.9409
134 0HO 0.9407
135 BZ2 0.9404
136 HQT 0.9402
137 0FO 0.9402
138 GZL 0.9402
139 5RO 0.9400
140 PIM 0.9399
141 1SQ 0.9398
142 B62 0.9398
143 MRW 0.9395
144 8ZE 0.9395
145 6TZ 0.9394
146 4MU 0.9393
147 1NP 0.9392
148 ISZ 0.9392
149 PAB 0.9391
150 OTW 0.9390
151 R8V 0.9389
152 1LQ 0.9388
153 MUA 0.9387
154 CFI 0.9387
155 F60 0.9386
156 14O 0.9383
157 0HN 0.9383
158 DQU 0.9382
159 BEA 0.9382
160 4HC 0.9380
161 VNL 0.9380
162 JAE 0.9379
163 5H1 0.9379
164 4YS 0.9378
165 826 0.9378
166 AJY 0.9375
167 5B1 0.9374
168 2K4 0.9373
169 5MI 0.9372
170 44W 0.9371
171 LI6 0.9370
172 5OB 0.9370
173 IHB 0.9369
174 5VM 0.9366
175 4ZA 0.9364
176 TT4 0.9364
177 O72 0.9363
178 5SG 0.9362
179 92K 0.9360
180 9KT 0.9360
181 3HA 0.9360
182 8WO 0.9358
183 JPZ 0.9357
184 1Y6 0.9357
185 3Z8 0.9356
186 ABV 0.9355
187 15N 0.9355
188 3F0 0.9354
189 N5J 0.9353
190 11S 0.9353
191 5IQ 0.9350
192 1LM 0.9349
193 JBH 0.9348
194 1KP 0.9347
195 URC 0.9346
196 ZYR 0.9346
197 IWT 0.9345
198 5MB 0.9345
199 2CK 0.9345
200 BZX 0.9344
201 KDV 0.9343
202 0JD 0.9341
203 2AK 0.9340
204 5CU 0.9340
205 9R5 0.9339
206 24W 0.9338
207 XM0 0.9336
208 32X 0.9335
209 DOB 0.9334
210 FA0 0.9333
211 5Q0 0.9333
212 6AI 0.9333
213 HDH 0.9331
214 ES1 0.9331
215 I3A 0.9331
216 BHA 0.9329
217 NDH 0.9329
218 HQY 0.9328
219 J9T 0.9327
220 N8Y 0.9327
221 XDK 0.9326
222 NIZ 0.9326
223 0W8 0.9326
224 DBH 0.9324
225 BZ3 0.9324
226 2HU 0.9323
227 4MA 0.9323
228 SKA 0.9323
229 2ZM 0.9320
230 TH7 0.9320
231 MS9 0.9315
232 H4N 0.9314
233 3NY 0.9313
234 NCT 0.9313
235 5XC 0.9312
236 BNL 0.9312
237 ES9 0.9311
238 5NI 0.9310
239 AX7 0.9309
240 PEY 0.9309
241 FE DB1 0.9308
242 1F1 0.9308
243 FK1 0.9307
244 ODO 0.9307
245 270 0.9306
246 NOJ 0.9306
247 IV2 0.9304
248 3HB 0.9304
249 3A9 0.9301
250 44V 0.9301
251 BPY 0.9301
252 4M0 0.9300
253 7HQ 0.9299
254 QX4 0.9299
255 F05 0.9299
256 5NU 0.9297
257 3M0 0.9297
258 TGX 0.9297
259 RM1 0.9297
260 2FY 0.9294
261 0XT 0.9294
262 XIY 0.9294
263 2MI 0.9293
264 4CS 0.9292
265 CTS 0.9291
266 6ME 0.9291
267 MVN 0.9290
268 QBK 0.9290
269 6NI 0.9289
270 0RW 0.9289
271 2CQ 0.9289
272 DRL 0.9288
273 F4E 0.9286
274 2BG 0.9286
275 94W 0.9284
276 JBK 0.9283
277 AC6 0.9283
278 SVN 0.9281
279 XAZ 0.9278
280 4HM 0.9278
281 QX2 0.9275
282 GAB 0.9275
283 JAW 0.9272
284 GTQ 0.9272
285 LDP 0.9272
286 ABI 0.9271
287 5VL 0.9270
288 75K 0.9266
289 8GC 0.9264
290 9EW 0.9262
291 6M4 0.9262
292 CWJ 0.9261
293 KT7 0.9261
294 ESP 0.9260
295 0F9 0.9260
296 7MU 0.9259
297 ICB 0.9259
298 1DW 0.9257
299 1PT 0.9257
300 5RG 0.9256
301 BEN 0.9256
302 MSR 0.9255
303 K34 0.9254
304 4RU 0.9253
305 HLR 0.9252
306 I1E 0.9248
307 8NY 0.9247
308 1WG 0.9247
309 LNR 0.9246
310 GYE 0.9246
311 3AB 0.9245
312 HMH 0.9244
313 DHQ 0.9244
314 6QF 0.9243
315 53C 0.9243
316 PHU 0.9241
317 1A7 0.9241
318 J9N 0.9241
319 WCE 0.9241
320 PHE 0.9240
321 BTY 0.9240
322 6PC 0.9240
323 1M2 0.9235
324 B60 0.9235
325 PJW 0.9235
326 7VS 0.9233
327 M0W 0.9233
328 IFP 0.9232
329 5JQ 0.9232
330 FHC 0.9231
331 R20 0.9230
332 KJY 0.9228
333 BEZ 0.9228
334 M4T 0.9227
335 GJP 0.9227
336 ESX 0.9227
337 1HN 0.9225
338 Q88 0.9224
339 MR1 0.9223
340 AHR 0.9222
341 FDB 0.9221
342 5RN 0.9220
343 MAQ 0.9219
344 X0V 0.9219
345 FBM 0.9219
346 54G 0.9218
347 SW7 0.9216
348 BAM 0.9216
349 5M0 0.9214
350 5HN 0.9212
351 209 0.9212
352 8OZ 0.9212
353 ROI 0.9212
354 E1T 0.9211
355 F9Y 0.9208
356 BZE 0.9208
357 7B4 0.9207
358 M2K 0.9207
359 OVV 0.9205
360 150 0.9203
361 DX3 0.9203
362 QWW 0.9200
363 X05 0.9200
364 SAL 0.9200
365 GAL 0.9200
366 30G 0.9200
367 3NT 0.9199
368 4XH 0.9199
369 174 0.9198
370 YCP 0.9197
371 DNF 0.9194
372 F2W 0.9194
373 HLZ 0.9193
374 AA 0.9192
375 PBC 0.9190
376 E5X 0.9190
377 6VD 0.9189
378 CFF 0.9188
379 ADZ 0.9187
380 B57 0.9186
381 NCA 0.9186
382 67N 0.9184
383 CLZ 0.9183
384 ES0 0.9183
385 MWP 0.9183
386 HHA 0.9180
387 TEP 0.9179
388 ICO 0.9178
389 4FH 0.9175
390 B55 0.9175
391 F9P 0.9175
392 KOJ 0.9174
393 2D0 0.9173
394 M1A 0.9173
395 GF4 0.9173
396 Z82 0.9172
397 6CS 0.9172
398 4XR 0.9171
399 069 0.9170
400 3BZ 0.9168
401 BCU 0.9166
402 HH8 0.9165
403 7ME 0.9163
404 CWM 0.9161
405 JU2 0.9161
406 2EC 0.9161
407 RXA 0.9160
408 SKM 0.9160
409 L22 0.9159
410 3IT 0.9159
411 UNU 0.9157
412 AZA 0.9156
413 4SX 0.9155
414 TPA 0.9155
415 TC7 0.9154
416 4SV 0.9154
417 MO8 0.9153
418 M0Q 0.9152
419 3MB 0.9150
420 FDR 0.9150
421 344 0.9148
422 42A 0.9148
423 JDN 0.9147
424 BRT 0.9147
425 F4Z 0.9146
426 J6W 0.9146
427 8XL 0.9146
428 8TX 0.9145
429 NIO 0.9145
430 PBA 0.9145
431 NBZ 0.9144
432 HA5 0.9144
433 92P 0.9143
434 JB8 0.9143
435 NQ 0.9143
436 BDP 0.9143
437 VK3 0.9142
438 9DG 0.9142
439 GDE 0.9142
440 ES6 0.9142
441 9MG 0.9139
442 H33 0.9138
443 45C 0.9138
444 SX1 0.9137
445 GUN 0.9137
446 37T 0.9137
447 4V2 0.9134
448 ANF 0.9133
449 0W1 0.9133
450 5MK 0.9132
451 X11 0.9132
452 BE2 0.9132
453 AC0 0.9132
454 FUD 0.9132
455 G12 0.9131
456 G5V 0.9130
457 OVM 0.9130
458 SS1 0.9130
459 EKZ 0.9129
460 JA8 0.9129
461 TBS 0.9128
462 52C 0.9127
463 M1H 0.9125
464 NTN 0.9124
465 KTJ 0.9124
466 UNC 0.9123
467 3U4 0.9122
468 ANC 0.9121
469 428 0.9121
470 LZM 0.9119
471 GNM 0.9118
472 5JL 0.9118
473 PZA 0.9117
474 IGA 0.9116
475 X0W 0.9114
476 9ZE 0.9114
477 SOE 0.9113
478 PHH 0.9112
479 XAN 0.9111
480 ESI 0.9111
481 TTY 0.9111
482 7VP 0.9110
483 AY4 0.9110
484 PNZ 0.9110
485 2LY 0.9107
486 ANN 0.9106
487 SNU 0.9104
488 SHA 0.9104
489 EUG 0.9103
490 CPZ 0.9103
491 ASC 0.9102
492 3WA 0.9100
493 GXY 0.9100
494 25W 0.9100
495 C2Y 0.9099
496 8WT 0.9099
497 9TZ 0.9098
498 M3H 0.9098
499 PQ0 0.9097
500 JBQ 0.9096
501 TYL 0.9096
502 PYQ 0.9094
503 X0U 0.9094
504 PRF 0.9093
505 XXP 0.9090
506 1U6 0.9090
507 VXX 0.9089
508 SRO 0.9089
509 APZ 0.9087
510 6FZ 0.9086
511 12T 0.9085
512 OAA 0.9083
513 M1Z 0.9082
514 4BL 0.9082
515 P92 0.9081
516 JBE 0.9081
517 SLS 0.9081
518 G6D 0.9081
519 PH2 0.9077
520 4NB 0.9077
521 141 0.9076
522 4TU 0.9075
523 7B3 0.9075
524 YH7 0.9074
525 2F6 0.9074
526 K17 0.9072
527 TWO 0.9072
528 TZF 0.9071
529 APG 0.9070
530 GTR 0.9070
531 BIK 0.9068
532 82I 0.9068
533 P72 0.9066
534 K32 0.9066
535 BPU 0.9064
536 ONR 0.9063
537 DHK 0.9062
538 BE7 0.9060
539 BOA 0.9060
540 Z5P 0.9059
541 4BY 0.9059
542 717 0.9054
543 A2F 0.9051
544 Q71 0.9051
545 DBX 0.9050
546 6AP 0.9050
547 6GU 0.9050
548 CFP 0.9049
549 RMN 0.9047
550 OTR 0.9047
551 ASO 0.9045
552 3DO 0.9044
553 DX4 0.9043
554 4ME 0.9042
555 DGJ 0.9039
556 HX4 0.9038
557 FYU 0.9036
558 JXN 0.9036
559 VGL 0.9035
560 JND 0.9035
561 JYB 0.9035
562 DPT 0.9034
563 AZG 0.9033
564 ORO 0.9032
565 QSH 0.9032
566 THA 0.9031
567 V55 0.9029
568 F0J 0.9028
569 8W9 0.9028
570 DEN 0.9027
571 BPN 0.9027
572 HH5 0.9026
573 UNJ 0.9025
574 8NX 0.9024
575 OW4 0.9024
576 G3F 0.9024
577 6KT 0.9023
578 TSU 0.9023
579 7NI 0.9022
580 XDE 0.9022
581 3FH 0.9021
582 QSC 0.9020
583 2AL 0.9020
584 20J 0.9020
585 SAN 0.9019
586 8IG 0.9016
587 OXC 0.9016
588 1XM 0.9015
589 LQ2 0.9015
590 290 0.9014
591 4J8 0.9011
592 NMJ 0.9008
593 3ZB 0.9006
594 FOT 0.9005
595 4BZ 0.9005
596 7WV 0.9003
597 OK7 0.9001
598 GCS 0.9000
599 HHR 0.9000
600 JKE 0.8999
601 51R 0.8999
602 Q6T 0.8997
603 PAC 0.8997
604 B5D 0.8995
605 8HC 0.8994
606 M1E 0.8994
607 XYP 0.8994
608 9FE 0.8991
609 3QM 0.8990
610 M58 0.8990
611 FAN 0.8990
612 HX3 0.8990
613 FCR 0.8989
614 M45 0.8988
615 27B 0.8986
616 0FK 0.8985
617 SRT 0.8984
618 XBT 0.8984
619 EQT 0.8983
620 FGZ 0.8983
621 AW5 0.8983
622 TIY 0.8982
623 F5B 0.8982
624 R9Y 0.8981
625 GAF 0.8981
626 CK2 0.8980
627 IPB 0.8980
628 1WD 0.8976
629 K22 0.8976
630 FBS 0.8976
631 SWA 0.8976
632 EYK 0.8975
633 DHR 0.8975
634 PZI 0.8975
635 4NM 0.8974
636 AL0 0.8973
637 M3E 0.8972
638 23J 0.8971
639 MLT 0.8971
640 7ZE 0.8970
641 5LA 0.8968
642 DBJ 0.8967
643 NID 0.8967
644 IND 0.8966
645 IT2 0.8965
646 2ZQ 0.8964
647 BCP 0.8963
648 495 0.8962
649 3J8 0.8962
650 GCU 0.8961
651 28N 0.8961
652 KW8 0.8961
653 IJZ 0.8960
654 A5E 0.8960
655 3OC 0.8959
656 0CU 0.8959
657 36Y 0.8959
658 42C 0.8958
659 GRE 0.8957
660 TIU 0.8957
661 MT0 0.8956
662 EXD 0.8950
663 091 0.8949
664 36E 0.8949
665 NAG 0.8949
666 6F0 0.8948
667 B53 0.8948
668 3XX 0.8947
669 OA3 0.8945
670 6M1 0.8944
671 RJY 0.8942
672 DYA 0.8941
673 BK9 0.8940
674 0FN 0.8940
675 X09 0.8940
676 K5W 0.8937
677 1XN 0.8937
678 CN0 0.8937
679 5WY 0.8937
680 1WC 0.8937
681 FBV 0.8935
682 8H8 0.8935
683 SVD 0.8935
684 PKU 0.8934
685 DPZ 0.8934
686 2H5 0.8933
687 FA1 0.8933
688 DRG 0.8931
689 GLA 0.8931
690 45L 0.8931
691 AKH 0.8926
692 JTH 0.8925
693 HPA 0.8924
694 OVP 0.8922
695 AAS 0.8922
696 LZ1 0.8921
697 BZI 0.8920
698 PPY 0.8920
699 HJP 0.8920
700 MPI 0.8919
701 ADE 0.8919
702 HKD 0.8919
703 6FB 0.8918
704 IDM 0.8918
705 PFB 0.8918
706 259 0.8918
707 0R1 0.8917
708 UFO 0.8917
709 ZXD 0.8916
710 FBW 0.8914
711 JUG 0.8913
712 K6X 0.8913
713 2HC 0.8913
714 SN4 0.8913
715 XXR 0.8913
716 226 0.8911
717 2A9 0.8910
718 UFV 0.8910
719 4FA 0.8907
720 5TY 0.8906
721 KTW 0.8905
722 KBB 0.8905
723 BZF 0.8905
724 FLV 0.8904
725 DIU 0.8904
726 HZQ 0.8903
727 XCZ 0.8900
728 4ZC 0.8900
729 SWD 0.8900
730 G1O 0.8898
731 8S0 0.8898
732 3DM 0.8896
733 F12 0.8895
734 HHI 0.8893
735 K8X 0.8893
736 2ZV 0.8892
737 JP2 0.8892
738 INE 0.8892
739 ZBT 0.8889
740 C2U 0.8888
741 NSP 0.8888
742 LDR 0.8887
743 FQI 0.8886
744 4VY 0.8885
745 HBO 0.8883
746 TH0 0.8883
747 GVH 0.8882
748 IF7 0.8882
749 DOR 0.8882
750 D07 0.8881
751 4XV 0.8881
752 RAM 0.8880
753 3R6 0.8879
754 AEF 0.8879
755 D3G 0.8878
756 2KA 0.8875
757 Q02 0.8875
758 9AP 0.8874
759 1Z6 0.8870
760 Q7A 0.8868
761 IFL 0.8868
762 PH3 0.8868
763 EVA 0.8868
764 H5B 0.8867
765 GOJ 0.8865
766 14J 0.8862
767 1L5 0.8862
768 A13 0.8861
769 AKG 0.8861
770 1XA 0.8860
771 EXO 0.8860
772 1QP 0.8858
773 N3W 0.8858
774 0CT 0.8858
775 D1X 0.8858
776 7MX 0.8857
777 LGC 0.8856
778 4JP 0.8855
779 GO2 0.8855
780 HBA 0.8854
781 L3Q 0.8853
782 23A 0.8852
783 FB2 0.8852
784 SXS 0.8850
785 8NB 0.8850
786 RUY 0.8849
787 AMS 0.8848
788 X8D 0.8848
789 KBG 0.8847
790 7WR 0.8847
791 SYA 0.8846
792 HSO 0.8845
793 RAT 0.8843
794 I3E 0.8843
795 LKA 0.8843
796 ADA 0.8842
797 BTE 0.8841
798 WOO 0.8840
799 XQG 0.8840
800 TAG 0.8840
801 G2F 0.8840
802 39A 0.8839
803 NDM 0.8839
804 RPQ 0.8839
805 NDG 0.8837
806 PD2 0.8835
807 MCT 0.8834
808 I6G 0.8832
809 LMR 0.8831
810 MAJ 0.8831
811 68A 0.8829
812 GLU 0.8829
813 GIV 0.8828
814 2O6 0.8827
815 NOY 0.8827
816 3R4 0.8823
817 MXN 0.8822
818 4LW 0.8821
819 ALL 0.8820
820 1VK 0.8820
821 PDC 0.8816
822 INS 0.8816
823 R2P 0.8815
824 Q77 0.8815
825 SHG 0.8815
826 A09 0.8814
827 2K8 0.8814
828 4XS 0.8813
829 UAN 0.8810
830 10L 0.8809
831 5NE 0.8809
832 GXL 0.8805
833 XRG 0.8804
834 HPS 0.8803
835 GM7 0.8802
836 AX3 0.8801
837 9RW 0.8800
838 4M4 0.8799
839 7MK 0.8799
840 X6X 0.8798
841 TSS 0.8797
842 GJS 0.8796
843 SMN 0.8795
844 MWM 0.8795
845 1P3 0.8795
846 FB1 0.8794
847 NGO 0.8790
848 PX7 0.8790
849 LSA 0.8789
850 GCO 0.8789
851 IAC 0.8787
852 9DA 0.8785
853 H4E 0.8785
854 FQX 0.8785
855 XXG 0.8785
856 8XQ 0.8785
857 6MP 0.8782
858 X48 0.8781
859 5CL 0.8779
860 KYA 0.8777
861 HMU 0.8776
862 QPR 0.8776
863 4ZE 0.8775
864 1GN 0.8775
865 KTA 0.8773
866 EVF 0.8773
867 12B 0.8773
868 DNA 0.8771
869 QIC 0.8771
870 BSP 0.8770
871 HHS 0.8770
872 E35 0.8769
873 SNO 0.8769
874 ZVO 0.8768
875 VOH 0.8767
876 XBZ 0.8764
877 HNQ 0.8763
878 795 0.8762
879 24B 0.8761
880 0TR 0.8760
881 9HX 0.8759
882 S60 0.8759
883 ZZT 0.8759
884 GZ2 0.8759
885 7WA 0.8758
886 SJ5 0.8757
887 5JC 0.8757
888 7CZ 0.8757
889 ENO 0.8757
890 4HO 0.8756
891 N2Z 0.8755
892 FH2 0.8755
893 FBT 0.8754
894 PMB 0.8754
895 BP1 0.8752
896 PRZ 0.8752
897 QMP 0.8750
898 3SL 0.8750
899 7HP 0.8749
900 YRL 0.8749
901 6X9 0.8748
902 MZG 0.8748
903 1MC 0.8746
904 43M 0.8744
905 RHU 0.8743
906 2YU 0.8742
907 AMH 0.8741
908 JZ9 0.8740
909 GCB 0.8740
910 VNJ 0.8739
911 SOR 0.8737
912 RSO 0.8736
913 5MH 0.8735
914 5WX 0.8735
915 4VP 0.8734
916 URF 0.8733
917 MBG 0.8733
918 XYD 0.8732
919 FUL 0.8732
920 HT4 0.8731
921 UEG 0.8730
922 PO6 0.8730
923 XX3 0.8729
924 TDR 0.8729
925 6BL 0.8728
926 RB5 0.8728
927 RNS 0.8727
928 FRU 0.8724
929 P3K 0.8723
930 5UC 0.8720
931 WBU 0.8720
932 SKF 0.8720
933 JZ3 0.8719
934 GSY 0.8719
935 HA7 0.8719
936 DNC 0.8718
937 6R8 0.8718
938 V1T 0.8717
939 BGU 0.8716
940 NTZ 0.8714
941 LCN 0.8713
942 34A 0.8713
943 FDK 0.8713
944 4JJ 0.8711
945 JXZ 0.8710
946 R8S 0.8709
947 OGA 0.8708
948 2MP 0.8706
949 2AC 0.8706
950 EGR 0.8705
951 MT5 0.8704
952 CXF 0.8704
953 329 0.8704
954 JXW 0.8704
955 M4E 0.8701
956 W81 0.8701
957 HFB 0.8700
958 ZZZ 0.8696
959 A7H 0.8695
960 TM7 0.8695
961 DQN 0.8691
962 PYD 0.8690
963 ICP 0.8690
964 261 0.8689
965 N91 0.8688
966 YTX 0.8688
967 L7T 0.8686
968 DEE 0.8685
969 PXM 0.8685
970 3AE 0.8685
971 FP1 0.8683
972 BNT 0.8681
973 TLD 0.8681
974 CNI 0.8681
975 3BU 0.8679
976 N0Z 0.8678
977 BBF 0.8677
978 3Z7 0.8677
979 JZ2 0.8676
980 ES4 0.8676
981 NVU 0.8675
982 95Z 0.8674
983 4CL 0.8673
984 TP5 0.8673
985 4AV 0.8670
986 9UL 0.8670
987 DHC 0.8669
988 S7J 0.8668
989 149 0.8668
990 4I8 0.8667
991 F1A 0.8666
992 HTP 0.8665
993 YIO 0.8664
994 MWJ 0.8664
995 8MO 0.8664
996 M4S 0.8663
997 BCF 0.8662
998 3VX 0.8661
999 APS 0.8661
1000 FBU 0.8660
1001 A1U 0.8660
1002 BMA 0.8660
1003 IBF 0.8658
1004 KGK 0.8657
1005 4KL 0.8654
1006 3SK 0.8654
1007 HRM 0.8653
1008 DS0 0.8651
1009 H62 0.8649
1010 C9E 0.8648
1011 4JM 0.8648
1012 QOS 0.8647
1013 IUR 0.8645
1014 PM6 0.8645
1015 C21 0.8645
1016 275 0.8644
1017 ALE 0.8643
1018 5NS 0.8641
1019 QAT 0.8640
1020 BR9 0.8637
1021 O2A 0.8637
1022 DA4 0.8636
1023 27Y 0.8636
1024 FUC 0.8636
1025 PCI 0.8635
1026 H8N 0.8635
1027 DHS 0.8634
1028 4JO 0.8633
1029 1DV 0.8631
1030 680 0.8631
1031 M5N 0.8622
1032 GLT 0.8620
1033 DMJ 0.8620
1034 0LH 0.8620
1035 E1K 0.8619
1036 HF2 0.8618
1037 MVL 0.8617
1038 EMZ 0.8617
1039 RNO 0.8616
1040 60P 0.8615
1041 F3B 0.8615
1042 LR5 0.8615
1043 K44 0.8615
1044 RIP 0.8615
1045 XYL 0.8610
1046 FBF 0.8609
1047 EV0 0.8604
1048 MAN 0.8602
1049 GIF 0.8602
1050 0NX 0.8601
1051 HXX 0.8601
1052 S0E 0.8601
1053 CKA 0.8598
1054 GAG 0.8597
1055 ZB1 0.8597
1056 GIM 0.8597
1057 K37 0.8595
1058 5GT 0.8595
1059 363 0.8594
1060 GJZ 0.8593
1061 4P0 0.8590
1062 2FT 0.8590
1063 7VJ 0.8590
1064 DIE 0.8585
1065 OMD 0.8582
1066 TXW 0.8581
1067 4VS 0.8578
1068 HDL 0.8577
1069 265 0.8577
1070 9LI 0.8576
1071 JF2 0.8575
1072 S2G 0.8571
1073 FCA 0.8570
1074 Y8I 0.8567
1075 SMV 0.8566
1076 WOT 0.8560
1077 0OC 0.8559
1078 ARP 0.8558
1079 FK8 0.8558
1080 ITE 0.8557
1081 OXQ 0.8552
1082 B85 0.8551
1083 XCG 0.8550
1084 4A5 0.8541
1085 GGL 0.8536
1086 537 0.8534
1087 LZ2 0.8533
1088 GCW 0.8520
1089 BDF 0.8519
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6HDN; Ligand: FZB; Similar sites found with APoc: 10
This union binding pocket(no: 1) in the query (biounit: 6hdn.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 4XUB 43D 27.3504
2 6HAZ FX5 27.6423
3 6HAZ FX5 27.6423
4 6DF7 G9V 30.7692
5 6DF7 G9V 30.7692
6 6J3O B4L 30.7692
7 6J3P B8O 39.2308
8 6J3P B8O 39.2308
9 5MG2 7M8 40
10 5IGL BMF 46.9231
11 5MLJ 9ST 50
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