Receptor
PDB id Resolution Class Description Source Keywords
5E3G 1.65 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX HOMO SAPIENS BROMODOMAIN AND PHD FINGER-CONTAINING PROTEIN 1(BRPF1) MONOLEUKEMIA ZINC-FINGER (MOZ) INHIBITOR TRANSCRIPTION DNA BPROTEIN
Ref.: TWENTY CRYSTAL STRUCTURES OF BROMODOMAIN AND PHD FI CONTAINING PROTEIN 1 (BRPF1)/LIGAND COMPLEXES REVEA CONSERVED BINDING MOTIFS AND RARE INTERACTIONS. J.MED.CHEM. V. 59 5555 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NO3 A:802;
Invalid;
none;
submit data
62.005 N O3 [N+](...
5JQ A:801;
Valid;
none;
submit data
184.176 C5 H4 N4 O2 S C12=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UYE 1.65 Å NON-ENZYME: OTHER BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-DIMETHYL-2-OXO-6-( PIPERIDIN-1-YL)-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL-2- M ETHOXYBENZAMIDE HOMO SAPIENS TRANSCRIPTION INHIBITOR HISTONE EPIGENETIC READER ANTAGO
Ref.: 1,3-DIMETHYL BENZIMIDAZOLONES ARE POTENT, SELECTIVE INHIBITORS OF THE BRPF1 BROMODOMAIN. ACS MED.CHEM.LETT. V. 5 1190 2014
Members (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5E3G - 5JQ C5 H4 N4 O2 S C12=C(NC(=....
2 5T4U ic50 = 4800 nM 12Q C10 H9 N O CN1c2ccccc....
3 5EWH Kd = 170 uM 5SG C9 H7 N O c1cc2cnccc....
4 5C85 Kd = 105 uM 4YO C8 H7 Br N2 O c1cc2c(cc1....
5 5E3D Kd = 95 uM 5JL C5 H4 N4 O S2 C12=C(NC(=....
6 5C87 - 4YS C9 H7 N O c1ccc2c(c1....
7 5O4T - 9KT C10 H10 N2 O2 CN1c2ccccc....
8 5OV8 Kd = 18 uM AXN C24 H30 N4 O4 S CC(C)Cc1cc....
9 5O4S ic50 = 3.4 uM 9KW C24 H28 N4 O5 S CN1c2cc(c(....
10 5MWH Kd = 1.8 uM UWX C24 H30 N4 O5 S CC(C)Cc1cc....
11 5DY7 - 5GT C9 H7 F3 N2 O c1cc2c(cc1....
12 5T4V ic50 = 60 nM N48 C19 H17 N3 O4 S CC1=CC(=O)....
13 5DYC - 5GU C8 H7 Br N2 O c1cc2c(cc1....
14 5O55 - 9L5 C19 H23 N5 O2 CCN1c2ccc(....
15 5EQ1 Kd = 21 uM BEA C9 H8 N3 S Cc1cccc2c1....
16 5G4S ic50 = 1 uM 8VI C24 H31 N5 O3 CCN(c1cc2c....
17 5EWC - 5SJ C12 H14 N2 O3 CCOC(=O)c1....
18 5EPR Kd = 91 uM 5QY C9 H10 N2 O C[C@H]1C(=....
19 5EVA - 5S9 C11 H9 F2 N3 O Cn1c(ccn1)....
20 5ETD - 5RN C10 H9 N O CC(=O)c1c[....
21 5DYA - 5GV C11 H12 N2 O3 CC[C@@H]1C....
22 5EV9 - 5SB C14 H12 N4 O CC(=O)Nc1c....
23 5MYG Kd = 31 nM LS8 C19 H17 N3 O4 S CC1=Cc2cc(....
24 5MWZ Kd = 7.1 uM KGU C24 H36 N6 O3 CCN1c2cc(c....
25 5G4R ic50 = 7.943 nM LF1 C22 H27 N5 O3 C[C@@H]1CN....
26 5OWA Kd = 3.5 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
27 5EM3 - 5Q0 C9 H7 N O c1cc2c(ccc....
28 5ETB Kd = 29 uM 5RO C11 H11 N O Cc1cccc2c1....
29 4UYE Kd = 9.54 nM 9F9 C22 H26 N4 O3 CN1c2cc(c(....
30 5O5F - 9LT C22 H20 F N5 O3 CCN1c2ccc(....
31 5O5A - 9LN C22 H21 N5 O3 CCN1c2ccc(....
32 5O5H - 9LK C17 H14 Cl N3 O3 Cc1c(oc(n1....
33 5C7N Kd = 0.27 uM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
34 5EPS Kd = 38 uM 5QX C9 H10 N2 O CN1c2ccccc....
35 5MWG ic50 = 1.7 uM WGX C25 H30 N4 O4 S CN1c2cc(c(....
36 5D7X Kd = 15 uM XZ8 C14 H13 N3 O2 CC1=C(C(=O....
37 6EKQ Kd = 10.9 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
70% Homology Family (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5E3G - 5JQ C5 H4 N4 O2 S C12=C(NC(=....
2 5T4U ic50 = 4800 nM 12Q C10 H9 N O CN1c2ccccc....
3 5EWH Kd = 170 uM 5SG C9 H7 N O c1cc2cnccc....
4 5C85 Kd = 105 uM 4YO C8 H7 Br N2 O c1cc2c(cc1....
5 5E3D Kd = 95 uM 5JL C5 H4 N4 O S2 C12=C(NC(=....
6 5C87 - 4YS C9 H7 N O c1ccc2c(c1....
7 5O4T - 9KT C10 H10 N2 O2 CN1c2ccccc....
8 5OV8 Kd = 18 uM AXN C24 H30 N4 O4 S CC(C)Cc1cc....
9 5O4S ic50 = 3.4 uM 9KW C24 H28 N4 O5 S CN1c2cc(c(....
10 5MWH Kd = 1.8 uM UWX C24 H30 N4 O5 S CC(C)Cc1cc....
11 5DY7 - 5GT C9 H7 F3 N2 O c1cc2c(cc1....
12 5T4V ic50 = 60 nM N48 C19 H17 N3 O4 S CC1=CC(=O)....
13 5DYC - 5GU C8 H7 Br N2 O c1cc2c(cc1....
14 5O55 - 9L5 C19 H23 N5 O2 CCN1c2ccc(....
15 5EQ1 Kd = 21 uM BEA C9 H8 N3 S Cc1cccc2c1....
16 5G4S ic50 = 1 uM 8VI C24 H31 N5 O3 CCN(c1cc2c....
17 5EWC - 5SJ C12 H14 N2 O3 CCOC(=O)c1....
18 5EPR Kd = 91 uM 5QY C9 H10 N2 O C[C@H]1C(=....
19 5EVA - 5S9 C11 H9 F2 N3 O Cn1c(ccn1)....
20 5ETD - 5RN C10 H9 N O CC(=O)c1c[....
21 5DYA - 5GV C11 H12 N2 O3 CC[C@@H]1C....
22 5EV9 - 5SB C14 H12 N4 O CC(=O)Nc1c....
23 5MYG Kd = 31 nM LS8 C19 H17 N3 O4 S CC1=Cc2cc(....
24 5MWZ Kd = 7.1 uM KGU C24 H36 N6 O3 CCN1c2cc(c....
25 5G4R ic50 = 7.943 nM LF1 C22 H27 N5 O3 C[C@@H]1CN....
26 5OWA Kd = 3.5 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
27 5EM3 - 5Q0 C9 H7 N O c1cc2c(ccc....
28 5ETB Kd = 29 uM 5RO C11 H11 N O Cc1cccc2c1....
29 4UYE Kd = 9.54 nM 9F9 C22 H26 N4 O3 CN1c2cc(c(....
30 5O5F - 9LT C22 H20 F N5 O3 CCN1c2ccc(....
31 5O5A - 9LN C22 H21 N5 O3 CCN1c2ccc(....
32 5O5H - 9LK C17 H14 Cl N3 O3 Cc1c(oc(n1....
33 5C7N Kd = 0.27 uM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
34 5EPS Kd = 38 uM 5QX C9 H10 N2 O CN1c2ccccc....
35 5MWG ic50 = 1.7 uM WGX C25 H30 N4 O4 S CN1c2cc(c(....
36 5D7X Kd = 15 uM XZ8 C14 H13 N3 O2 CC1=C(C(=O....
37 6EKQ Kd = 10.9 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
38 3RCW - MB3 C5 H9 N O CN1CCCC1=O
39 5N49 ic50 = 450 nM 8LW C22 H17 N3 O3 Cc1cc2c(cc....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5E3G - 5JQ C5 H4 N4 O2 S C12=C(NC(=....
2 5T4U ic50 = 4800 nM 12Q C10 H9 N O CN1c2ccccc....
3 5EWH Kd = 170 uM 5SG C9 H7 N O c1cc2cnccc....
4 5C85 Kd = 105 uM 4YO C8 H7 Br N2 O c1cc2c(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5JQ; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 5JQ 1 1
2 5JL 0.617647 0.938776
3 8TX 0.611111 0.98
4 URC 0.542857 0.862745
Similar Ligands (3D)
Ligand no: 1; Ligand: 5JQ; Similar ligands found: 1160
No: Ligand Similarity coefficient
1 B55 0.9980
2 XAZ 0.9973
3 75K 0.9936
4 BTY 0.9932
5 QBK 0.9905
6 8IG 0.9818
7 9DG 0.9801
8 1XM 0.9779
9 M6N 0.9768
10 GUN 0.9767
11 MEW 0.9767
12 AZ8 0.9764
13 VGD 0.9761
14 YH7 0.9756
15 M5K 0.9751
16 J9W 0.9748
17 BOA 0.9746
18 Q24 0.9741
19 36R 0.9736
20 PE0 0.9734
21 AZA 0.9733
22 XAN 0.9729
23 AJ2 0.9729
24 BGC 0.9717
25 1P8 0.9716
26 A2F 0.9715
27 141 0.9709
28 IGA 0.9709
29 MUA 0.9706
30 ET2 0.9704
31 ES0 0.9703
32 CLW 0.9702
33 AZG 0.9697
34 AQO 0.9695
35 6GU 0.9687
36 0CU 0.9683
37 M1Q 0.9683
38 6AP 0.9673
39 6VD 0.9669
40 ES2 0.9668
41 4HC 0.9668
42 DX4 0.9663
43 BCP 0.9662
44 5VM 0.9656
45 CWM 0.9646
46 Q88 0.9636
47 QX4 0.9633
48 B62 0.9622
49 290 0.9620
50 CFP 0.9611
51 0FO 0.9601
52 OTW 0.9591
53 XHP 0.9581
54 KT7 0.9575
55 DQU 0.9573
56 RM1 0.9569
57 2D0 0.9564
58 CWJ 0.9556
59 XQ0 0.9552
60 HH5 0.9547
61 5OB 0.9547
62 JA8 0.9542
63 HMH 0.9540
64 GLC 0.9540
65 H42 0.9537
66 BZ3 0.9532
67 K2T 0.9528
68 4MU 0.9525
69 2AK 0.9523
70 FBB 0.9523
71 DRL 0.9518
72 2EC 0.9517
73 2HQ 0.9512
74 ES9 0.9510
75 11S 0.9509
76 5MB 0.9508
77 H4N 0.9500
78 FK1 0.9498
79 2K4 0.9498
80 44W 0.9495
81 6AI 0.9494
82 F60 0.9493
83 BZX 0.9492
84 5NU 0.9490
85 FYU 0.9490
86 5MI 0.9488
87 AZ9 0.9487
88 4ME 0.9487
89 EA1 0.9481
90 HQD 0.9479
91 5H1 0.9478
92 COU 0.9477
93 94W 0.9472
94 VNL 0.9471
95 M0Q 0.9470
96 8NY 0.9469
97 MVN 0.9469
98 VK3 0.9469
99 4FS 0.9468
100 IV2 0.9468
101 5CU 0.9467
102 2AQ 0.9466
103 14O 0.9464
104 FA0 0.9464
105 44V 0.9461
106 7VS 0.9457
107 KIB 0.9457
108 M0W 0.9457
109 NOJ 0.9455
110 DOB 0.9454
111 0N7 0.9454
112 2AL 0.9454
113 JB5 0.9453
114 BHA 0.9449
115 G3F 0.9449
116 9MG 0.9448
117 3F0 0.9447
118 RXA 0.9447
119 4M0 0.9446
120 5IQ 0.9445
121 LZM 0.9445
122 TWO 0.9443
123 ES5 0.9442
124 03V 0.9441
125 NQ 0.9439
126 6RQ 0.9438
127 42A 0.9438
128 5Q0 0.9437
129 GCS 0.9436
130 A7W 0.9434
131 MS9 0.9433
132 M1E 0.9427
133 S76 0.9427
134 PQ0 0.9426
135 3M0 0.9426
136 5XC 0.9425
137 OCH 0.9425
138 ZZT 0.9425
139 6ME 0.9424
140 7B4 0.9423
141 1SQ 0.9422
142 F9Y 0.9421
143 8WO 0.9419
144 3HA 0.9418
145 ODO 0.9415
146 QWW 0.9414
147 HJP 0.9414
148 0P6 0.9413
149 7HQ 0.9410
150 AX7 0.9409
151 5SG 0.9409
152 N5J 0.9407
153 DIN 0.9407
154 I3A 0.9403
155 4HM 0.9401
156 1NP 0.9398
157 FDB 0.9398
158 270 0.9397
159 4YS 0.9397
160 JBK 0.9396
161 3ID 0.9396
162 ES1 0.9392
163 SYV 0.9389
164 CWS 0.9389
165 1LQ 0.9386
166 M1H 0.9386
167 JBH 0.9385
168 JPZ 0.9385
169 24W 0.9385
170 APZ 0.9384
171 MR1 0.9384
172 ORO 0.9383
173 D07 0.9381
174 KJU 0.9380
175 3DM 0.9379
176 J9Q 0.9379
177 DMD 0.9378
178 86J 0.9378
179 HMU 0.9375
180 8S0 0.9375
181 FE DB1 0.9373
182 JAE 0.9373
183 DBH 0.9372
184 FOT 0.9369
185 4CS 0.9369
186 209 0.9368
187 XQG 0.9366
188 PH2 0.9365
189 B53 0.9363
190 KIA 0.9362
191 2F6 0.9362
192 J9T 0.9361
193 MO8 0.9360
194 HQY 0.9360
195 7NI 0.9359
196 JND 0.9357
197 MRW 0.9356
198 B60 0.9356
199 OXC 0.9356
200 QWN 0.9355
201 UNC 0.9354
202 BEA 0.9353
203 10L 0.9350
204 UEG 0.9349
205 7W4 0.9345
206 O72 0.9344
207 B57 0.9342
208 ISN 0.9341
209 97T 0.9341
210 2A9 0.9340
211 M1A 0.9337
212 9R5 0.9337
213 92K 0.9334
214 P92 0.9333
215 2MI 0.9331
216 NMJ 0.9331
217 0W8 0.9330
218 G3E 0.9329
219 3MB 0.9326
220 ADE 0.9326
221 7MU 0.9326
222 1XN 0.9326
223 8CM 0.9325
224 3NT 0.9325
225 4JQ 0.9325
226 4TU 0.9322
227 OVM 0.9322
228 H33 0.9321
229 HPA 0.9319
230 5WV 0.9319
231 HLZ 0.9318
232 MQN 0.9317
233 8NX 0.9317
234 5GU 0.9315
235 8GC 0.9315
236 GAB 0.9314
237 KUF 0.9312
238 QX2 0.9312
239 3HB 0.9310
240 AHR 0.9310
241 8WT 0.9307
242 R8V 0.9307
243 67N 0.9306
244 5RO 0.9306
245 INE 0.9305
246 82I 0.9304
247 2A7 0.9303
248 NID 0.9303
249 WCE 0.9303
250 5WY 0.9303
251 TTL 0.9302
252 QXW 0.9300
253 MAQ 0.9299
254 NDM 0.9299
255 P3K 0.9299
256 2FQ 0.9297
257 DIU 0.9297
258 AS3 0.9296
259 BDP 0.9296
260 QPR 0.9295
261 9DA 0.9294
262 1P7 0.9294
263 7HP 0.9292
264 IJZ 0.9291
265 7ME 0.9291
266 Q6T 0.9290
267 KDV 0.9289
268 20J 0.9289
269 5B1 0.9288
270 DHK 0.9288
271 4YO 0.9287
272 7W1 0.9287
273 KKN 0.9286
274 UAN 0.9286
275 AX3 0.9285
276 23A 0.9284
277 8H8 0.9281
278 ABV 0.9281
279 CLZ 0.9280
280 1LM 0.9280
281 KYA 0.9280
282 ADZ 0.9279
283 TEP 0.9278
284 7WA 0.9277
285 D48 0.9277
286 C2U 0.9273
287 6M9 0.9272
288 34D 0.9269
289 EV0 0.9269
290 4XH 0.9268
291 BRT 0.9268
292 3AB 0.9268
293 SWA 0.9268
294 12Q 0.9265
295 SHA 0.9265
296 CTL 0.9265
297 SVN 0.9264
298 PM6 0.9263
299 N2I 0.9263
300 5QY 0.9262
301 OVV 0.9261
302 9HX 0.9260
303 5HN 0.9260
304 DOR 0.9260
305 A13 0.9259
306 F81 0.9257
307 0JD 0.9256
308 3PF 0.9255
309 GDE 0.9254
310 3Z8 0.9253
311 5RN 0.9252
312 5QX 0.9251
313 Z5P 0.9250
314 2ZQ 0.9248
315 TSS 0.9248
316 42C 0.9247
317 D1X 0.9247
318 PDC 0.9247
319 M2K 0.9247
320 XYP 0.9247
321 GXY 0.9246
322 KJH 0.9245
323 AW5 0.9244
324 2H5 0.9244
325 ES7 0.9243
326 HH8 0.9242
327 SE2 0.9242
328 6MP 0.9242
329 4AA 0.9241
330 3BZ 0.9241
331 4JT 0.9240
332 BTE 0.9239
333 V55 0.9237
334 SOE 0.9237
335 K22 0.9236
336 K32 0.9236
337 8ZE 0.9236
338 ICO 0.9234
339 Q71 0.9234
340 AKH 0.9233
341 9EW 0.9233
342 F0J 0.9232
343 J5I 0.9232
344 PRF 0.9232
345 PXL 0.9231
346 HQJ 0.9231
347 JTH 0.9231
348 ES4 0.9230
349 K3Q 0.9229
350 GAL 0.9227
351 0TU 0.9226
352 HIS 0.9223
353 TT4 0.9222
354 HHA 0.9220
355 12B 0.9220
356 9KT 0.9219
357 3MG 0.9219
358 0F9 0.9211
359 7ZE 0.9209
360 BP1 0.9209
361 OW4 0.9207
362 HLR 0.9207
363 BE2 0.9207
364 5RG 0.9207
365 PYQ 0.9206
366 F05 0.9204
367 0RW 0.9202
368 2FG 0.9202
369 6NT 0.9201
370 DBJ 0.9200
371 CTS 0.9200
372 261 0.9200
373 24B 0.9199
374 NSP 0.9197
375 0W1 0.9194
376 2FY 0.9193
377 1DW 0.9193
378 OVP 0.9192
379 4XR 0.9191
380 LXC 0.9191
381 HQT 0.9186
382 0HO 0.9183
383 EUG 0.9183
384 J6W 0.9182
385 FDR 0.9181
386 6M4 0.9181
387 PXM 0.9181
388 495 0.9180
389 SAL 0.9180
390 SKA 0.9180
391 6CS 0.9180
392 E7S 0.9180
393 52C 0.9180
394 KJY 0.9179
395 53C 0.9179
396 PRZ 0.9178
397 R8S 0.9173
398 II6 0.9173
399 SXS 0.9171
400 9FL 0.9171
401 JBE 0.9170
402 7WR 0.9170
403 MT0 0.9169
404 3NY 0.9169
405 54G 0.9166
406 4M4 0.9165
407 LGC 0.9165
408 3OC 0.9164
409 SYA 0.9163
410 3IT 0.9162
411 SX1 0.9161
412 FP1 0.9161
413 ASO 0.9160
414 NAG 0.9160
415 0HN 0.9159
416 LI6 0.9158
417 2HU 0.9158
418 4SV 0.9157
419 5UC 0.9157
420 2BG 0.9153
421 SKM 0.9152
422 069 0.9151
423 F12 0.9149
424 5M0 0.9148
425 PEY 0.9147
426 K17 0.9147
427 INO 0.9147
428 680 0.9146
429 B5D 0.9146
430 QUZ 0.9144
431 GJS 0.9143
432 HZQ 0.9143
433 GTQ 0.9143
434 4XV 0.9143
435 DFB 0.9142
436 KOJ 0.9139
437 E5X 0.9138
438 F31 0.9137
439 2ZM 0.9136
440 5NI 0.9135
441 ABI 0.9135
442 92P 0.9135
443 E7Z 0.9134
444 6NI 0.9134
445 1F1 0.9132
446 XIY 0.9132
447 NTZ 0.9130
448 A29 0.9129
449 1M2 0.9129
450 QSH 0.9129
451 ZZ3 0.9128
452 5MK 0.9127
453 GZL 0.9127
454 YQA 0.9125
455 URF 0.9124
456 GM7 0.9123
457 5WX 0.9122
458 3WA 0.9118
459 NPY 0.9117
460 PNZ 0.9117
461 EQT 0.9116
462 VOH 0.9116
463 TDR 0.9114
464 149 0.9113
465 ES6 0.9112
466 JAW 0.9112
467 TBS 0.9111
468 G5V 0.9110
469 SWD 0.9110
470 GIO 0.9106
471 GCU 0.9106
472 TGX 0.9104
473 GIV 0.9104
474 DHB 0.9101
475 LDR 0.9101
476 NGO 0.9101
477 4NC 0.9100
478 IPB 0.9100
479 XX2 0.9100
480 BK9 0.9098
481 ADK 0.9098
482 P9P 0.9097
483 HLD 0.9097
484 JBQ 0.9095
485 GLA 0.9094
486 PZI 0.9094
487 UFO 0.9094
488 OMD 0.9094
489 FGZ 0.9091
490 4XS 0.9089
491 AJV 0.9087
492 N8Y 0.9087
493 4A3 0.9087
494 3U4 0.9086
495 JB8 0.9086
496 PQK 0.9086
497 ICP 0.9085
498 L5V 0.9085
499 ANN 0.9084
500 WBU 0.9083
501 CFF 0.9083
502 JLZ 0.9083
503 1GN 0.9083
504 NNO 0.9082
505 TOF 0.9081
506 HNQ 0.9081
507 0FN 0.9081
508 TH7 0.9080
509 93K 0.9080
510 SHG 0.9079
511 3A9 0.9078
512 TH0 0.9076
513 FHB 0.9075
514 PD2 0.9075
515 QAT 0.9071
516 C2Y 0.9070
517 4Z4 0.9070
518 6KT 0.9070
519 PFB 0.9070
520 51R 0.9069
521 1MC 0.9067
522 BZI 0.9067
523 293 0.9067
524 MYJ 0.9066
525 ONR 0.9066
526 NPO 0.9065
527 4FA 0.9065
528 15N 0.9064
529 TTY 0.9063
530 TIU 0.9063
531 NDH 0.9062
532 3FH 0.9062
533 B2J 0.9062
534 3HM 0.9060
535 X05 0.9060
536 173 0.9059
537 1WD 0.9058
538 3Z7 0.9057
539 2KA 0.9056
540 DNA 0.9056
541 HKD 0.9056
542 2LY 0.9055
543 9AP 0.9052
544 DEN 0.9052
545 EMZ 0.9051
546 IFL 0.9051
547 CH9 0.9051
548 GZ8 0.9049
549 LZ1 0.9049
550 3MA 0.9049
551 BMA 0.9049
552 HHR 0.9046
553 7B3 0.9044
554 32X 0.9044
555 DNF 0.9044
556 NDG 0.9044
557 IND 0.9043
558 9TZ 0.9043
559 JG8 0.9043
560 BPU 0.9042
561 R9Y 0.9042
562 MCT 0.9041
563 DNC 0.9041
564 JDN 0.9040
565 QAS 0.9040
566 JIF 0.9040
567 FBG 0.9040
568 0CT 0.9038
569 43M 0.9037
570 A7H 0.9036
571 4JP 0.9035
572 BZF 0.9035
573 LSA 0.9034
574 XM0 0.9034
575 PX7 0.9034
576 W81 0.9033
577 8XQ 0.9032
578 JKE 0.9031
579 PKU 0.9031
580 GRE 0.9030
581 LT2 0.9030
582 QSB 0.9030
583 4ZE 0.9029
584 GTR 0.9028
585 FRU 0.9028
586 4BZ 0.9028
587 XYD 0.9026
588 1PT 0.9025
589 Z82 0.9022
590 2CK 0.9020
591 I6G 0.9018
592 329 0.9017
593 HDH 0.9016
594 BCU 0.9016
595 GVH 0.9016
596 7WV 0.9015
597 0GZ 0.9015
598 275 0.9015
599 MBG 0.9014
600 0R1 0.9013
601 39U 0.9013
602 2HO 0.9012
603 BHO 0.9012
604 DHQ 0.9012
605 PHB 0.9010
606 G2F 0.9009
607 9TW 0.9008
608 E1T 0.9008
609 ESI 0.9008
610 12T 0.9007
611 4HO 0.9007
612 MWM 0.9006
613 PYD 0.9003
614 8W9 0.9003
615 CHB 0.9002
616 717 0.9002
617 1Y6 0.9002
618 X09 0.9001
619 XXR 0.9001
620 K8X 0.8999
621 1IT 0.8998
622 SRO 0.8998
623 9CA 0.8996
624 PAB 0.8996
625 Q7A 0.8996
626 RSF 0.8996
627 5MH 0.8995
628 MPI 0.8994
629 3AL 0.8994
630 GOJ 0.8993
631 39A 0.8993
632 7MX 0.8993
633 8G0 0.8991
634 3XX 0.8991
635 JU2 0.8990
636 H5B 0.8988
637 4P5 0.8988
638 4JO 0.8987
639 30G 0.8987
640 LKA 0.8986
641 37T 0.8985
642 X8D 0.8985
643 226 0.8985
644 X0W 0.8984
645 OA3 0.8983
646 IUR 0.8982
647 34A 0.8981
648 HBA 0.8981
649 7VJ 0.8978
650 ZVO 0.8977
651 IHB 0.8977
652 EVA 0.8977
653 2ZV 0.8976
654 JZ2 0.8976
655 4BL 0.8975
656 4BY 0.8975
657 RD4 0.8975
658 2MP 0.8972
659 NOY 0.8972
660 N2Z 0.8971
661 G6D 0.8971
662 428 0.8970
663 DIE 0.8970
664 HX3 0.8969
665 XBZ 0.8969
666 25W 0.8969
667 2AC 0.8967
668 6F0 0.8967
669 1AL 0.8965
670 A1U 0.8964
671 K5W 0.8963
672 PFL 0.8963
673 AA 0.8961
674 6TZ 0.8961
675 CKA 0.8960
676 3ZB 0.8960
677 4ZC 0.8959
678 GCB 0.8959
679 FLV 0.8958
680 3QV 0.8957
681 DHR 0.8956
682 IDM 0.8955
683 15L 0.8954
684 GIF 0.8953
685 174 0.8952
686 UFV 0.8951
687 6M1 0.8948
688 GYE 0.8948
689 BR9 0.8947
690 DGJ 0.8946
691 0R0 0.8946
692 PHT 0.8946
693 K82 0.8946
694 M2H 0.8945
695 4CL 0.8945
696 GAF 0.8944
697 TM7 0.8943
698 4JJ 0.8943
699 AZF 0.8943
700 QOS 0.8942
701 F5B 0.8942
702 RPQ 0.8942
703 4VS 0.8942
704 UNJ 0.8941
705 DPZ 0.8940
706 9ZE 0.8938
707 3R6 0.8933
708 NTM 0.8933
709 MZG 0.8932
710 JZ3 0.8932
711 6BL 0.8931
712 BZ2 0.8931
713 DRG 0.8930
714 ZZ8 0.8930
715 NIZ 0.8930
716 FUL 0.8930
717 M4E 0.8929
718 YSO 0.8926
719 27Y 0.8926
720 IUP 0.8926
721 EKZ 0.8926
722 FBU 0.8925
723 2YU 0.8924
724 HT4 0.8922
725 WOO 0.8922
726 DBX 0.8921
727 NBZ 0.8921
728 DX3 0.8921
729 THA 0.8921
730 IAC 0.8919
731 ZZZ 0.8918
732 OW7 0.8917
733 4MA 0.8917
734 X6X 0.8917
735 ISZ 0.8916
736 14J 0.8916
737 VXX 0.8916
738 FUD 0.8916
739 XYS 0.8916
740 HBD 0.8915
741 GLY PRO 0.8915
742 SOR 0.8915
743 7MH 0.8914
744 CN0 0.8914
745 MAN 0.8913
746 ALL 0.8913
747 BEZ 0.8911
748 2LP 0.8910
749 IFP 0.8910
750 GJP 0.8909
751 EJZ 0.8909
752 1KP 0.8907
753 GBD 0.8906
754 1P3 0.8905
755 ICB 0.8905
756 OXZ 0.8905
757 AGK 0.8902
758 GXL 0.8902
759 AY4 0.8902
760 G12 0.8901
761 K37 0.8900
762 GOX 0.8899
763 FA1 0.8899
764 1X7 0.8898
765 JFJ 0.8897
766 35C 0.8897
767 GV9 0.8897
768 T6C 0.8897
769 RHU 0.8897
770 TYL 0.8896
771 MWJ 0.8896
772 BZJ 0.8896
773 TXW 0.8896
774 5VL 0.8896
775 4VP 0.8895
776 IF7 0.8895
777 IFM 0.8895
778 4KL 0.8894
779 MNM 0.8894
780 GAG 0.8893
781 HA7 0.8892
782 FA3 0.8891
783 R20 0.8891
784 2K8 0.8890
785 AEF 0.8889
786 FBW 0.8889
787 PBZ 0.8888
788 NGT 0.8888
789 23J 0.8888
790 ZYR 0.8887
791 1HN 0.8886
792 4RU 0.8885
793 344 0.8885
794 E35 0.8885
795 15E 0.8885
796 NSG 0.8883
797 GNL 0.8883
798 GTL 0.8882
799 JUG 0.8881
800 GVG 0.8878
801 ANF 0.8877
802 PHH 0.8877
803 CFI 0.8877
804 NIO 0.8877
805 NCT 0.8877
806 826 0.8876
807 JFD 0.8876
808 ESP 0.8876
809 ADA 0.8875
810 5JC 0.8874
811 3SK 0.8874
812 J9N 0.8874
813 3BU 0.8874
814 LYL 0.8872
815 NVU 0.8872
816 JZ9 0.8870
817 YCP 0.8870
818 IDH 0.8869
819 FDK 0.8867
820 2CQ 0.8867
821 PJW 0.8867
822 TLD 0.8865
823 BAM 0.8865
824 OTR 0.8864
825 AIN 0.8864
826 EXO 0.8864
827 MWP 0.8863
828 P72 0.8862
829 6FZ 0.8861
830 MJ2 0.8860
831 R8A 0.8860
832 CFA 0.8860
833 JR2 0.8860
834 SW7 0.8857
835 HHS 0.8857
836 FH2 0.8857
837 BEN 0.8856
838 1WG 0.8855
839 PA1 0.8855
840 O2A 0.8854
841 NCA 0.8853
842 G4D 0.8851
843 LDP 0.8851
844 0FK 0.8850
845 H8N 0.8850
846 FPY 0.8850
847 BDF 0.8850
848 CIT 0.8850
849 K6X 0.8849
850 DA4 0.8849
851 LT8 0.8848
852 Q77 0.8848
853 BPN 0.8845
854 OXQ 0.8844
855 X0V 0.8844
856 KTW 0.8844
857 4NM 0.8841
858 P84 0.8840
859 0XT 0.8840
860 PHE 0.8840
861 PZA 0.8837
862 4I8 0.8835
863 60P 0.8834
864 OTD 0.8832
865 PHU 0.8830
866 259 0.8830
867 YIO 0.8830
868 RSO 0.8830
869 8OZ 0.8829
870 GF4 0.8829
871 HA5 0.8828
872 FAN 0.8828
873 67X 0.8827
874 39O 0.8826
875 0MK 0.8826
876 KLW 0.8825
877 5NE 0.8825
878 N3W 0.8824
879 6PC 0.8824
880 ZWZ 0.8823
881 RIP 0.8823
882 FBM 0.8821
883 KFH 0.8821
884 LCN 0.8820
885 4WL 0.8819
886 YRL 0.8818
887 12M 0.8817
888 V6F 0.8817
889 NK 0.8815
890 J01 0.8815
891 G1O 0.8814
892 JKZ 0.8814
893 RIB 0.8812
894 GCO 0.8811
895 RMN 0.8811
896 DMJ 0.8810
897 VNJ 0.8810
898 4FH 0.8810
899 SR1 0.8810
900 GIM 0.8809
901 8HC 0.8808
902 EN1 0.8806
903 150 0.8804
904 EYK 0.8803
905 9FE 0.8803
906 45C 0.8803
907 KBG 0.8801
908 ROI 0.8800
909 FCR 0.8800
910 47J 0.8799
911 C2A 0.8797
912 XBT 0.8797
913 OAA 0.8796
914 Y8I 0.8795
915 P9E 0.8795
916 45L 0.8795
917 1A7 0.8792
918 AC6 0.8792
919 DEE 0.8792
920 ZXD 0.8791
921 NLA 0.8791
922 HY3 0.8791
923 ASC 0.8790
924 HXX 0.8790
925 F2W 0.8790
926 4SX 0.8790
927 F4E 0.8788
928 TBP 0.8788
929 GT0 0.8786
930 091 0.8785
931 XCZ 0.8784
932 P4B 0.8784
933 6LW 0.8783
934 XXP 0.8783
935 BSP 0.8782
936 DFU 0.8782
937 UNU 0.8782
938 PYG 0.8781
939 PBC 0.8780
940 FQI 0.8779
941 VGL 0.8778
942 6UA 0.8778
943 28N 0.8778
944 MVL 0.8777
945 JXN 0.8776
946 4VY 0.8775
947 AEZ 0.8774
948 6OT 0.8771
949 HTP 0.8771
950 F1A 0.8770
951 42J 0.8769
952 NGA 0.8769
953 5WU 0.8766
954 NTN 0.8766
955 4JM 0.8766
956 7FF 0.8764
957 0LH 0.8762
958 3DO 0.8761
959 AJY 0.8760
960 ARB 0.8758
961 7I2 0.8757
962 KYD 0.8757
963 1DV 0.8757
964 PAC 0.8756
965 AX2 0.8754
966 QIC 0.8754
967 5ZE 0.8753
968 EXD 0.8753
969 3RK 0.8753
970 463 0.8752
971 XUL 0.8752
972 IWT 0.8750
973 27B 0.8750
974 8XL 0.8750
975 MAJ 0.8750
976 FB1 0.8749
977 INS 0.8749
978 F69 0.8748
979 MSR 0.8748
980 RBL 0.8746
981 8NB 0.8745
982 FBT 0.8743
983 RB5 0.8742
984 7D2 0.8741
985 FUC 0.8740
986 GHM 0.8740
987 FCB 0.8740
988 HHT 0.8740
989 SF9 0.8736
990 IPZ 0.8734
991 2DR 0.8732
992 4ZA 0.8731
993 286 0.8730
994 MHK 0.8730
995 13X 0.8729
996 6XI 0.8728
997 RNO 0.8727
998 49O 0.8727
999 A2G 0.8727
1000 L3Q 0.8727
1001 TPA 0.8726
1002 CPZ 0.8726
1003 GNM 0.8724
1004 MFB 0.8723
1005 BPY 0.8723
1006 M4T 0.8722
1007 F4Z 0.8722
1008 3AY 0.8721
1009 SNO 0.8721
1010 URQ 0.8721
1011 WOT 0.8720
1012 2MN 0.8720
1013 BR8 0.8719
1014 AC0 0.8717
1015 GMN 0.8717
1016 FBV 0.8716
1017 GTZ 0.8716
1018 MBD 0.8716
1019 6MH 0.8716
1020 FCA 0.8715
1021 DQA 0.8715
1022 H76 0.8715
1023 1WC 0.8715
1024 4JL 0.8715
1025 60Q 0.8714
1026 1U6 0.8714
1027 NGW 0.8713
1028 TC7 0.8712
1029 H7Y 0.8711
1030 S0E 0.8711
1031 SVD 0.8704
1032 46P 0.8700
1033 DUB 0.8700
1034 4NB 0.8700
1035 LMR 0.8699
1036 AN3 0.8699
1037 EUE 0.8698
1038 JP2 0.8696
1039 FLC 0.8696
1040 GCV 0.8694
1041 5AN 0.8693
1042 8GK 0.8692
1043 ARP 0.8692
1044 HFB 0.8688
1045 RM4 0.8688
1046 3FA 0.8687
1047 GOO 0.8687
1048 2MY 0.8686
1049 23W 0.8686
1050 GSY 0.8686
1051 AMG 0.8686
1052 2HC 0.8685
1053 HBO 0.8685
1054 PIY 0.8685
1055 K34 0.8684
1056 TM4 0.8683
1057 ESX 0.8683
1058 FBA 0.8683
1059 2CM 0.8683
1060 V1T 0.8682
1061 RNS 0.8682
1062 IQ5 0.8682
1063 K25 0.8681
1064 TSU 0.8680
1065 ABE 0.8678
1066 2ZX 0.8677
1067 ERH 0.8677
1068 LNR 0.8676
1069 L99 0.8675
1070 BNT 0.8675
1071 MPV 0.8674
1072 3MC 0.8673
1073 AMH 0.8673
1074 GOG 0.8672
1075 2GS 0.8672
1076 HBX 0.8672
1077 XRG 0.8671
1078 SNU 0.8669
1079 DHS 0.8668
1080 3CE 0.8667
1081 PBA 0.8667
1082 PIM 0.8667
1083 EOL 0.8667
1084 3R4 0.8666
1085 5FN 0.8666
1086 XQK 0.8666
1087 AEH 0.8665
1088 TSR 0.8659
1089 MS0 0.8659
1090 0TR 0.8658
1091 5LA 0.8656
1092 AH8 0.8656
1093 RAM 0.8656
1094 5NS 0.8656
1095 2C9 0.8655
1096 BBK 0.8653
1097 1XA 0.8652
1098 C2B 0.8651
1099 4V2 0.8650
1100 KP6 0.8650
1101 DQN 0.8650
1102 RCO 0.8650
1103 SYN 0.8647
1104 PZM 0.8644
1105 WDL 0.8644
1106 SRT 0.8644
1107 7CZ 0.8642
1108 549 0.8636
1109 MT5 0.8635
1110 FFP 0.8634
1111 CRS 0.8634
1112 GLT 0.8631
1113 94N 0.8626
1114 A65 0.8625
1115 9PY 0.8625
1116 DK1 0.8623
1117 SN4 0.8623
1118 BCF 0.8616
1119 SS1 0.8616
1120 SLC 0.8614
1121 B56 0.8613
1122 FLM 0.8612
1123 4A5 0.8611
1124 282 0.8610
1125 BBF 0.8609
1126 06B 0.8609
1127 FUF 0.8608
1128 2JK 0.8606
1129 IBF 0.8606
1130 68A 0.8605
1131 PYF 0.8602
1132 SF6 0.8601
1133 A7N 0.8598
1134 APS 0.8597
1135 IP0 0.8595
1136 KDF 0.8595
1137 7N0 0.8594
1138 OK7 0.8590
1139 MMA 0.8582
1140 LRH 0.8580
1141 LQ2 0.8577
1142 7WG 0.8576
1143 KTJ 0.8575
1144 FA6 0.8573
1145 X0U 0.8571
1146 3J8 0.8570
1147 2O6 0.8565
1148 F3B 0.8564
1149 PRY 0.8560
1150 TCZ 0.8556
1151 TLA 0.8552
1152 7VP 0.8550
1153 DVQ 0.8542
1154 5TY 0.8537
1155 9LI 0.8536
1156 RAT 0.8529
1157 6Q3 0.8528
1158 BIK 0.8522
1159 3V4 0.8520
1160 M58 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UYE; Ligand: 9F9; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 4uye.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4YC9 4C1 35.5932
2 6J3O B4L 38.1356
3 5MLJ 9ST 40.1786
4 5ML0 P2L 45.4545
Pocket No.: 2; Query (leader) PDB : 4UYE; Ligand: 9F9; Similar sites found with APoc: 7
This union binding pocket(no: 2) in the query (biounit: 4uye.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6J3P B8O 38.1356
2 6J3O B4L 38.1356
3 6J3P B8O 38.1356
4 5TPX 7H7 38.9831
5 5MLJ 9ST 40.1786
6 5MLJ 9ST 40.1786
7 5ML0 P2L 45.4545
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