Receptor
PDB id Resolution Class Description Source Keywords
5EWH 1.63 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX SEED19 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+](...
5SG A:801;
Valid;
none;
Kd = 170 uM
145.158 C9 H7 N O c1cc2...
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: 5SG; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 5SG 1 1
2 1NP 0.414634 0.736842
Similar Ligands (3D)
Ligand no: 1; Ligand: 5SG; Similar ligands found: 1135
No: Ligand Similarity coefficient
1 5Q0 1.0000
2 ES1 1.0000
3 1LQ 1.0000
4 1LM 1.0000
5 O72 1.0000
6 1SQ 1.0000
7 HQY 1.0000
8 N5J 1.0000
9 5IQ 1.0000
10 24W 1.0000
11 JBH 0.9995
12 4YS 0.9995
13 JPZ 0.9995
14 HH8 0.9959
15 4XH 0.9950
16 HPA 0.9833
17 SVN 0.9830
18 ADE 0.9816
19 ISN 0.9809
20 1XN 0.9808
21 Q88 0.9808
22 NPY 0.9799
23 12Q 0.9796
24 BTE 0.9795
25 XYP 0.9789
26 6MP 0.9787
27 7WA 0.9781
28 QUZ 0.9781
29 GLC 0.9779
30 A7W 0.9774
31 10L 0.9773
32 HLZ 0.9765
33 BGC 0.9764
34 9DA 0.9762
35 KKN 0.9760
36 BP1 0.9757
37 9HX 0.9756
38 JBQ 0.9754
39 0P6 0.9753
40 AZ8 0.9751
41 R8V 0.9747
42 PXL 0.9745
43 LXC 0.9745
44 3WA 0.9744
45 AZA 0.9744
46 7HP 0.9743
47 SAL 0.9742
48 ES0 0.9740
49 HQT 0.9738
50 9EW 0.9733
51 Q24 0.9730
52 6M9 0.9729
53 CWM 0.9725
54 F05 0.9723
55 CFP 0.9717
56 5WV 0.9717
57 PE0 0.9715
58 ES4 0.9715
59 M6N 0.9714
60 6M4 0.9713
61 XAN 0.9712
62 MT0 0.9711
63 67N 0.9711
64 KUF 0.9711
65 M1A 0.9709
66 ES7 0.9709
67 M5K 0.9709
68 ADZ 0.9709
69 32X 0.9709
70 9DG 0.9707
71 7W4 0.9706
72 IGA 0.9706
73 495 0.9704
74 7W1 0.9702
75 TTL 0.9702
76 PM6 0.9701
77 M1Q 0.9697
78 GUN 0.9696
79 CWS 0.9695
80 25W 0.9693
81 2D0 0.9692
82 AJ2 0.9692
83 HZQ 0.9691
84 1PT 0.9691
85 5QX 0.9690
86 0RW 0.9690
87 8CM 0.9684
88 AQO 0.9682
89 DHQ 0.9682
90 HLR 0.9679
91 G6D 0.9679
92 MEW 0.9675
93 J9W 0.9675
94 4HC 0.9670
95 A2F 0.9663
96 5RG 0.9659
97 7B4 0.9658
98 SKA 0.9658
99 6AP 0.9654
100 DIN 0.9654
101 141 0.9653
102 EQT 0.9652
103 290 0.9644
104 MRW 0.9643
105 3HA 0.9643
106 I3A 0.9642
107 7VS 0.9642
108 M0W 0.9640
109 UNC 0.9632
110 23A 0.9631
111 M1H 0.9630
112 GIO 0.9630
113 AHR 0.9626
114 2CK 0.9623
115 3M0 0.9622
116 XXR 0.9621
117 AZG 0.9616
118 URC 0.9616
119 BHO 0.9616
120 7HQ 0.9614
121 3F0 0.9614
122 3ID 0.9612
123 4CS 0.9611
124 DX4 0.9610
125 KT7 0.9609
126 DEN 0.9607
127 AZ9 0.9606
128 9MG 0.9603
129 1XM 0.9598
130 G3F 0.9597
131 SWA 0.9593
132 BE2 0.9587
133 FOT 0.9586
134 5WX 0.9586
135 HJP 0.9586
136 DBH 0.9585
137 0W8 0.9583
138 ES6 0.9581
139 M0Q 0.9571
140 3U4 0.9569
141 JKE 0.9567
142 FE DB1 0.9566
143 3Z8 0.9564
144 BCP 0.9562
145 4SV 0.9556
146 1P7 0.9551
147 JBK 0.9549
148 4NC 0.9547
149 GTQ 0.9544
150 3PF 0.9541
151 XYS 0.9540
152 BOA 0.9539
153 YH7 0.9538
154 BZI 0.9538
155 DMD 0.9536
156 5M0 0.9536
157 8S0 0.9536
158 1WD 0.9534
159 6CS 0.9534
160 3IT 0.9531
161 3HB 0.9530
162 IND 0.9528
163 GAB 0.9528
164 BZX 0.9525
165 XQ0 0.9523
166 ORO 0.9523
167 XM0 0.9523
168 COU 0.9522
169 HH5 0.9521
170 BZF 0.9521
171 DBJ 0.9520
172 GCS 0.9520
173 GRE 0.9517
174 6F0 0.9516
175 2AQ 0.9515
176 4JP 0.9513
177 AX7 0.9512
178 7NI 0.9511
179 8GC 0.9511
180 FDB 0.9510
181 DHB 0.9509
182 BDP 0.9509
183 3NT 0.9507
184 75K 0.9503
185 G3E 0.9503
186 BTY 0.9502
187 NQ 0.9501
188 14O 0.9500
189 270 0.9497
190 03V 0.9496
191 H42 0.9496
192 IJZ 0.9495
193 7WV 0.9491
194 SOE 0.9491
195 APZ 0.9490
196 8TX 0.9489
197 ISE 0.9488
198 EA1 0.9486
199 GVH 0.9482
200 LSA 0.9482
201 4FS 0.9480
202 HQD 0.9479
203 JBE 0.9479
204 5NU 0.9479
205 JUG 0.9478
206 QBK 0.9478
207 LZ1 0.9476
208 OCH 0.9475
209 Q6T 0.9474
210 IDM 0.9474
211 OXC 0.9472
212 ABV 0.9472
213 VNL 0.9472
214 B60 0.9471
215 DRL 0.9471
216 B53 0.9468
217 JB5 0.9465
218 0CU 0.9465
219 ADK 0.9464
220 B55 0.9463
221 0N7 0.9461
222 MUA 0.9461
223 0R1 0.9458
224 5QY 0.9458
225 5H1 0.9456
226 MPI 0.9456
227 6M1 0.9456
228 39A 0.9453
229 MAQ 0.9453
230 6AI 0.9452
231 5HN 0.9451
232 RXA 0.9450
233 CTL 0.9450
234 86J 0.9448
235 VK3 0.9447
236 FA0 0.9446
237 0CT 0.9445
238 ES5 0.9444
239 5CU 0.9444
240 1WG 0.9443
241 YCP 0.9443
242 6PC 0.9442
243 F60 0.9441
244 2K4 0.9438
245 AKH 0.9436
246 0FO 0.9436
247 ARB 0.9436
248 G1O 0.9435
249 M1E 0.9433
250 G5V 0.9432
251 3AB 0.9432
252 MO8 0.9429
253 C2U 0.9429
254 BEZ 0.9427
255 XAZ 0.9424
256 B62 0.9422
257 GYE 0.9422
258 2ZV 0.9421
259 54G 0.9420
260 GAL 0.9419
261 5MI 0.9418
262 5B1 0.9416
263 5MB 0.9415
264 BEN 0.9413
265 YSO 0.9411
266 HHA 0.9410
267 D1X 0.9410
268 5JQ 0.9409
269 GDE 0.9407
270 P9P 0.9407
271 2MI 0.9406
272 IV2 0.9406
273 JLZ 0.9404
274 4MU 0.9403
275 8IG 0.9402
276 173 0.9402
277 6GU 0.9401
278 DOB 0.9401
279 BAM 0.9401
280 150 0.9400
281 DOR 0.9399
282 PYQ 0.9398
283 92K 0.9398
284 42C 0.9398
285 9TZ 0.9398
286 INO 0.9397
287 P92 0.9394
288 URF 0.9393
289 KJH 0.9392
290 SE2 0.9392
291 RSF 0.9391
292 NOJ 0.9391
293 DHK 0.9390
294 4AA 0.9389
295 NBZ 0.9389
296 53C 0.9389
297 WCE 0.9388
298 NK 0.9387
299 NCA 0.9387
300 2CQ 0.9387
301 5RN 0.9385
302 12B 0.9382
303 D48 0.9381
304 RAM 0.9381
305 3MA 0.9380
306 4M0 0.9379
307 GBD 0.9378
308 XHP 0.9377
309 MYJ 0.9377
310 OVV 0.9377
311 4A3 0.9374
312 4XR 0.9373
313 NNO 0.9370
314 BEA 0.9369
315 JIF 0.9367
316 2HQ 0.9367
317 NIO 0.9367
318 F5B 0.9364
319 QX4 0.9363
320 J5I 0.9362
321 MCT 0.9361
322 ASO 0.9361
323 34D 0.9360
324 B57 0.9359
325 44W 0.9357
326 QWN 0.9357
327 BHA 0.9356
328 0TR 0.9355
329 LZM 0.9355
330 FHB 0.9355
331 BRT 0.9354
332 42A 0.9353
333 LT2 0.9351
334 FUL 0.9350
335 NTM 0.9347
336 OXQ 0.9346
337 7ZE 0.9346
338 2AK 0.9345
339 TEP 0.9344
340 PHT 0.9344
341 MWM 0.9342
342 0MK 0.9342
343 OTW 0.9341
344 JZ9 0.9340
345 L3Q 0.9339
346 GAG 0.9338
347 AW5 0.9336
348 FYU 0.9336
349 H4N 0.9336
350 TDR 0.9336
351 1DW 0.9336
352 DQU 0.9335
353 ES9 0.9335
354 4ZE 0.9334
355 PZA 0.9334
356 11S 0.9333
357 5MK 0.9333
358 EXO 0.9331
359 5JL 0.9330
360 WBU 0.9330
361 E7Z 0.9328
362 UNU 0.9327
363 93K 0.9325
364 TH7 0.9324
365 GCU 0.9324
366 AJV 0.9322
367 2ZQ 0.9322
368 3HM 0.9319
369 SX1 0.9317
370 F0J 0.9316
371 1MC 0.9316
372 HMH 0.9316
373 XQG 0.9315
374 7CZ 0.9315
375 JAE 0.9311
376 XX2 0.9311
377 CHB 0.9310
378 5WY 0.9310
379 4HO 0.9307
380 PZI 0.9306
381 37T 0.9304
382 CFF 0.9303
383 QSB 0.9303
384 XBZ 0.9301
385 LGC 0.9301
386 NDH 0.9300
387 FK1 0.9300
388 9KT 0.9295
389 DIU 0.9293
390 SKM 0.9293
391 KJY 0.9292
392 HFB 0.9291
393 INS 0.9291
394 JZ3 0.9290
395 TOF 0.9288
396 CTS 0.9286
397 PFB 0.9286
398 HY3 0.9286
399 MVN 0.9282
400 KYD 0.9281
401 5OB 0.9281
402 SS1 0.9281
403 4JT 0.9280
404 NDM 0.9280
405 2AC 0.9279
406 VGL 0.9278
407 43M 0.9278
408 S76 0.9277
409 GTR 0.9277
410 15L 0.9276
411 60P 0.9274
412 ICP 0.9274
413 P3K 0.9274
414 44V 0.9273
415 4ME 0.9273
416 BE7 0.9272
417 2YU 0.9272
418 6ME 0.9270
419 2H5 0.9270
420 KJU 0.9270
421 4M4 0.9270
422 TH0 0.9269
423 3RK 0.9269
424 RIP 0.9269
425 5AC 0.9268
426 V55 0.9263
427 64K 0.9262
428 A1U 0.9258
429 QWW 0.9258
430 2MP 0.9256
431 KLW 0.9256
432 ET2 0.9255
433 NMJ 0.9255
434 D07 0.9254
435 XYD 0.9254
436 5UC 0.9254
437 MWP 0.9254
438 2A7 0.9253
439 HIS 0.9253
440 QXW 0.9252
441 2HO 0.9251
442 NTN 0.9251
443 DIE 0.9251
444 149 0.9251
445 34A 0.9248
446 TM7 0.9244
447 NPO 0.9243
448 7MH 0.9241
449 VGD 0.9241
450 PYG 0.9241
451 MBD 0.9241
452 FLM 0.9239
453 HT4 0.9238
454 3BZ 0.9237
455 SXS 0.9236
456 3MC 0.9235
457 FBT 0.9234
458 AC0 0.9233
459 KIB 0.9233
460 9TW 0.9232
461 PYD 0.9228
462 8WT 0.9227
463 8NY 0.9226
464 VNJ 0.9226
465 FUC 0.9226
466 PBC 0.9225
467 SWD 0.9224
468 2AL 0.9223
469 ZVO 0.9222
470 1P3 0.9222
471 45C 0.9219
472 4JJ 0.9219
473 36R 0.9216
474 G2F 0.9216
475 3Z7 0.9215
476 MZG 0.9215
477 HMU 0.9212
478 SHG 0.9210
479 4Z4 0.9208
480 FGZ 0.9208
481 QSH 0.9208
482 ES2 0.9206
483 7VJ 0.9206
484 SHA 0.9205
485 NID 0.9204
486 24B 0.9204
487 1P8 0.9203
488 JZ2 0.9203
489 GLA 0.9203
490 FBB 0.9197
491 ICO 0.9195
492 EKZ 0.9195
493 QX2 0.9194
494 3FA 0.9194
495 3ZQ 0.9194
496 PHB 0.9193
497 3OC 0.9193
498 SYV 0.9192
499 GMN 0.9192
500 2C9 0.9191
501 QPR 0.9190
502 NOY 0.9190
503 IHB 0.9190
504 4CL 0.9189
505 680 0.9189
506 5MH 0.9189
507 ZZT 0.9189
508 CLW 0.9187
509 F4Z 0.9185
510 BCF 0.9183
511 INE 0.9183
512 82I 0.9182
513 NIZ 0.9182
514 6VD 0.9181
515 JFD 0.9180
516 3MB 0.9180
517 5JC 0.9178
518 BR9 0.9178
519 IFL 0.9178
520 KOJ 0.9178
521 2FG 0.9175
522 DFB 0.9174
523 7ME 0.9173
524 QSC 0.9173
525 FBV 0.9172
526 UEG 0.9170
527 6MH 0.9168
528 K2T 0.9167
529 4JQ 0.9164
530 PXM 0.9163
531 RM4 0.9163
532 FCB 0.9162
533 PA1 0.9162
534 OVM 0.9160
535 FCA 0.9160
536 RM1 0.9160
537 A13 0.9160
538 3DO 0.9160
539 MQN 0.9159
540 3SK 0.9159
541 97T 0.9159
542 3FH 0.9159
543 N8Y 0.9158
544 35C 0.9157
545 5RO 0.9157
546 5VM 0.9156
547 DUB 0.9156
548 DPZ 0.9155
549 NTZ 0.9153
550 LI6 0.9151
551 KBG 0.9150
552 EVA 0.9150
553 329 0.9148
554 0JD 0.9148
555 2EC 0.9147
556 M58 0.9147
557 4JO 0.9147
558 F31 0.9146
559 BBF 0.9144
560 R8A 0.9144
561 K5W 0.9144
562 TTY 0.9144
563 DNF 0.9142
564 4ZC 0.9142
565 MWJ 0.9141
566 GJS 0.9140
567 TC7 0.9140
568 UAN 0.9140
569 27Y 0.9139
570 NSP 0.9138
571 MAN 0.9137
572 J9Q 0.9137
573 T6C 0.9136
574 DBX 0.9135
575 J1Z 0.9134
576 RMN 0.9132
577 4YO 0.9131
578 CFI 0.9129
579 ISZ 0.9128
580 CLZ 0.9127
581 PCI 0.9127
582 PAB 0.9127
583 8H8 0.9120
584 ARA 0.9119
585 8OZ 0.9119
586 GIV 0.9118
587 GM7 0.9116
588 IFP 0.9116
589 0TU 0.9115
590 HBD 0.9115
591 SRO 0.9115
592 23J 0.9114
593 FFP 0.9112
594 MFB 0.9112
595 RNS 0.9112
596 51R 0.9111
597 2MY 0.9110
598 Z82 0.9110
599 OAA 0.9110
600 JA8 0.9109
601 5GU 0.9109
602 JXN 0.9109
603 LKA 0.9109
604 3CE 0.9107
605 EYK 0.9106
606 WOO 0.9106
607 1Y6 0.9104
608 3XX 0.9104
609 0FN 0.9101
610 39O 0.9098
611 BZ3 0.9095
612 8WO 0.9095
613 R9Y 0.9095
614 DQN 0.9094
615 TIU 0.9094
616 GOG 0.9092
617 7B3 0.9091
618 3DM 0.9091
619 FAN 0.9090
620 2CM 0.9089
621 2FQ 0.9088
622 SJ5 0.9088
623 6RQ 0.9087
624 F3B 0.9086
625 IFM 0.9086
626 PBZ 0.9084
627 AZF 0.9083
628 QAT 0.9081
629 X05 0.9080
630 X09 0.9080
631 TLD 0.9080
632 DFU 0.9079
633 SOR 0.9079
634 0R0 0.9077
635 J9T 0.9077
636 12M 0.9076
637 G4D 0.9075
638 IT2 0.9074
639 2DR 0.9074
640 826 0.9073
641 F12 0.9071
642 GCB 0.9070
643 QOS 0.9069
644 1GN 0.9069
645 FPY 0.9067
646 IUR 0.9066
647 IBF 0.9064
648 275 0.9064
649 XIY 0.9064
650 4MA 0.9061
651 9FL 0.9060
652 PHH 0.9059
653 FB1 0.9059
654 GZ8 0.9057
655 PRF 0.9057
656 Q7A 0.9056
657 GOO 0.9056
658 YQA 0.9055
659 MS9 0.9053
660 LDP 0.9053
661 ASC 0.9052
662 RPQ 0.9048
663 F81 0.9047
664 HX3 0.9047
665 5CL 0.9045
666 K17 0.9045
667 EUG 0.9043
668 286 0.9043
669 X0V 0.9042
670 TM4 0.9042
671 QAS 0.9041
672 IPB 0.9040
673 MBG 0.9040
674 40O 0.9040
675 Z5P 0.9038
676 XCZ 0.9038
677 I1N 0.9038
678 209 0.9037
679 GAF 0.9037
680 Y8I 0.9033
681 BMA 0.9033
682 GZL 0.9033
683 ALL 0.9031
684 BR8 0.9030
685 SW7 0.9027
686 H33 0.9026
687 CAQ 0.9025
688 A29 0.9024
689 YTB 0.9024
690 AFR 0.9023
691 HNQ 0.9023
692 LCN 0.9023
693 OXE 0.9023
694 DGJ 0.9020
695 X6X 0.9019
696 PQ0 0.9019
697 MR1 0.9016
698 4P5 0.9014
699 HBA 0.9011
700 7WR 0.9010
701 PRZ 0.9009
702 YIO 0.9009
703 R8S 0.9007
704 RSO 0.9007
705 174 0.9006
706 RIB 0.9006
707 ADA 0.9006
708 FBW 0.9005
709 5XC 0.9004
710 Q71 0.9004
711 JND 0.9002
712 CN0 0.9000
713 282 0.9000
714 KFH 0.8999
715 FPK 0.8995
716 OA3 0.8992
717 OXZ 0.8991
718 GVG 0.8991
719 1M2 0.8990
720 261 0.8990
721 IDH 0.8990
722 OMD 0.8989
723 BK9 0.8987
724 RHU 0.8985
725 TBS 0.8980
726 AX2 0.8979
727 MLT 0.8979
728 M2K 0.8978
729 PDC 0.8978
730 AC6 0.8976
731 ASP 0.8976
732 20J 0.8973
733 8ZE 0.8973
734 F9P 0.8973
735 AJY 0.8972
736 MVL 0.8972
737 FPI 0.8972
738 SEJ 0.8971
739 FUF 0.8970
740 ZZ3 0.8970
741 13X 0.8969
742 8XQ 0.8968
743 6UA 0.8966
744 JXW 0.8965
745 2MN 0.8964
746 L99 0.8964
747 94N 0.8963
748 FBU 0.8961
749 URQ 0.8961
750 B5D 0.8960
751 FP1 0.8958
752 PX7 0.8957
753 UFV 0.8957
754 VOH 0.8957
755 717 0.8957
756 2A9 0.8955
757 SYN 0.8955
758 GXL 0.8955
759 GXY 0.8954
760 AMC 0.8954
761 7MU 0.8953
762 NK2 0.8951
763 4HM 0.8950
764 PRO 0.8950
765 HBX 0.8948
766 TBP 0.8946
767 3MG 0.8946
768 TGX 0.8945
769 15E 0.8945
770 5AN 0.8944
771 N2I 0.8944
772 JTH 0.8943
773 4SX 0.8943
774 EJZ 0.8941
775 L89 0.8941
776 4XV 0.8940
777 PHU 0.8940
778 3MH 0.8940
779 IPZ 0.8939
780 284 0.8939
781 1U6 0.8937
782 FB2 0.8937
783 OW4 0.8936
784 2FY 0.8936
785 KIA 0.8936
786 XXP 0.8936
787 3AY 0.8935
788 2AF 0.8935
789 4FH 0.8935
790 FBM 0.8934
791 5NE 0.8934
792 PBA 0.8934
793 2CH 0.8933
794 IF7 0.8933
795 QIC 0.8933
796 LYL 0.8930
797 PAF 0.8930
798 JZ0 0.8929
799 I6G 0.8928
800 MNM 0.8928
801 2PC 0.8926
802 9CA 0.8925
803 UFO 0.8924
804 ABE 0.8920
805 ABN 0.8920
806 HQJ 0.8920
807 4TU 0.8919
808 92Z 0.8919
809 069 0.8918
810 WDL 0.8917
811 BEW 0.8917
812 PY7 0.8917
813 HXX 0.8915
814 FLV 0.8913
815 8W9 0.8913
816 FP2 0.8911
817 8LG 0.8911
818 PAC 0.8911
819 260 0.8911
820 JFJ 0.8911
821 SRT 0.8910
822 SYA 0.8910
823 TWO 0.8907
824 MSN 0.8903
825 NEQ 0.8902
826 226 0.8901
827 KBB 0.8901
828 PEY 0.8901
829 RCO 0.8901
830 XBT 0.8901
831 GLF 0.8900
832 P72 0.8900
833 0HO 0.8900
834 3R6 0.8899
835 3NY 0.8899
836 X8D 0.8897
837 AIN 0.8897
838 1AN 0.8896
839 5ZE 0.8894
840 K34 0.8894
841 FDK 0.8894
842 APG 0.8894
843 DYA 0.8893
844 PH2 0.8892
845 3C1 0.8890
846 C21 0.8890
847 6NT 0.8890
848 2BG 0.8889
849 ODO 0.8889
850 BSP 0.8888
851 URA 0.8887
852 9RW 0.8887
853 PYF 0.8885
854 SMV 0.8885
855 DEE 0.8884
856 1KP 0.8884
857 FOA 0.8884
858 ERH 0.8883
859 FBG 0.8883
860 52C 0.8883
861 TP5 0.8882
862 FA3 0.8882
863 76X 0.8881
864 GIM 0.8879
865 ENL 0.8879
866 JZ1 0.8877
867 PYC 0.8877
868 2LP 0.8876
869 2ZX 0.8875
870 MZB 0.8874
871 0HN 0.8873
872 XUL 0.8871
873 0F9 0.8871
874 GOX 0.8869
875 FCR 0.8869
876 GLY PRO 0.8869
877 94B 0.8868
878 KIV 0.8868
879 VXX 0.8867
880 93Q 0.8865
881 1IT 0.8865
882 LG3 0.8865
883 45L 0.8865
884 TPA 0.8865
885 ZWZ 0.8864
886 2ZM 0.8864
887 TLA 0.8862
888 JG8 0.8862
889 JZ5 0.8862
890 HTS 0.8861
891 HKD 0.8861
892 MT5 0.8860
893 OVP 0.8859
894 ZYR 0.8858
895 TAR 0.8856
896 DMJ 0.8856
897 LMR 0.8856
898 95Z 0.8855
899 CYT 0.8854
900 06B 0.8853
901 MAK 0.8853
902 AEZ 0.8850
903 EV0 0.8849
904 3CH 0.8849
905 265 0.8848
906 RB5 0.8848
907 CRS 0.8848
908 0LH 0.8844
909 AAS 0.8844
910 SAN 0.8844
911 6KX 0.8842
912 4PW 0.8842
913 LG5 0.8842
914 DX3 0.8842
915 ZZ8 0.8840
916 3C2 0.8840
917 9R5 0.8840
918 938 0.8839
919 4VP 0.8838
920 9TY 0.8838
921 E3D 0.8837
922 MJ2 0.8836
923 26D 0.8836
924 47J 0.8835
925 K6X 0.8834
926 JBN 0.8834
927 2LY 0.8833
928 GV9 0.8833
929 F9Y 0.8832
930 HHR 0.8829
931 TSU 0.8828
932 4XS 0.8826
933 KDV 0.8826
934 TZC 0.8825
935 PMB 0.8824
936 N8P 0.8824
937 FH2 0.8822
938 FDR 0.8822
939 TSS 0.8821
940 WOT 0.8820
941 K8X 0.8816
942 MHK 0.8816
943 C2Y 0.8816
944 GIF 0.8816
945 HA7 0.8815
946 GCO 0.8815
947 FRU 0.8814
948 2HU 0.8813
949 HIO 0.8812
950 92P 0.8811
951 K32 0.8811
952 G12 0.8809
953 6LW 0.8809
954 2PG 0.8808
955 091 0.8806
956 PHE 0.8804
957 FA1 0.8804
958 2MH 0.8804
959 YAN 0.8803
960 1XX 0.8803
961 948 0.8798
962 JU2 0.8797
963 ROI 0.8797
964 23W 0.8795
965 AS3 0.8793
966 5NI 0.8793
967 JYB 0.8793
968 2KA 0.8789
969 HTP 0.8788
970 BCU 0.8787
971 273 0.8787
972 6BL 0.8786
973 BVF 0.8785
974 BPU 0.8785
975 14J 0.8781
976 ECE 0.8780
977 8GF 0.8778
978 NCT 0.8778
979 IP0 0.8777
980 PLQ 0.8776
981 4WL 0.8776
982 AUD 0.8776
983 NVU 0.8775
984 L5V 0.8775
985 1F1 0.8774
986 3SL 0.8773
987 XYL 0.8772
988 ABI 0.8772
989 TT4 0.8772
990 SMN 0.8772
991 28N 0.8772
992 Q77 0.8771
993 JAB 0.8770
994 BDF 0.8769
995 3A9 0.8769
996 18N 0.8768
997 KPL 0.8768
998 GLT 0.8765
999 TMZ 0.8765
1000 ZBT 0.8764
1001 JKZ 0.8762
1002 TFU 0.8761
1003 2XX 0.8760
1004 CWJ 0.8757
1005 SF9 0.8757
1006 AGK 0.8756
1007 CGB 0.8756
1008 6X8 0.8754
1009 6HQ 0.8752
1010 FQI 0.8751
1011 7N0 0.8751
1012 URP 0.8751
1013 C2A 0.8749
1014 KGK 0.8746
1015 DNC 0.8746
1016 285 0.8746
1017 GCV 0.8745
1018 K22 0.8744
1019 ZZZ 0.8743
1020 ESI 0.8743
1021 CXF 0.8742
1022 6OT 0.8741
1023 HQE 0.8740
1024 8GK 0.8739
1025 ONR 0.8738
1026 PBE 0.8737
1027 OK7 0.8737
1028 BNS 0.8735
1029 FPN 0.8735
1030 1X7 0.8734
1031 DHS 0.8734
1032 NGO 0.8734
1033 L7T 0.8732
1034 1MR 0.8730
1035 94W 0.8730
1036 BNT 0.8729
1037 4P0 0.8729
1038 H8N 0.8726
1039 H3M 0.8725
1040 7D2 0.8724
1041 MRZ 0.8723
1042 LDR 0.8722
1043 N7P 0.8721
1044 6NI 0.8719
1045 LG4 0.8719
1046 DA1 0.8713
1047 D3M 0.8713
1048 PCR 0.8711
1049 0XT 0.8710
1050 HDH 0.8708
1051 B3R 0.8708
1052 GCW 0.8707
1053 MXN 0.8707
1054 LNR 0.8706
1055 ZXD 0.8705
1056 PXY 0.8704
1057 AMG 0.8704
1058 GTZ 0.8700
1059 4XX 0.8699
1060 0W1 0.8699
1061 BZ2 0.8692
1062 25R 0.8691
1063 YHO 0.8688
1064 TCZ 0.8684
1065 MFU 0.8683
1066 4H2 0.8682
1067 PFL 0.8682
1068 ASN 0.8677
1069 CIG 0.8676
1070 PD2 0.8676
1071 LRH 0.8670
1072 1DU 0.8670
1073 GTL 0.8670
1074 HGQ 0.8668
1075 1DV 0.8667
1076 M3T 0.8665
1077 II6 0.8664
1078 4ZA 0.8663
1079 GT0 0.8663
1080 9AP 0.8660
1081 3AL 0.8660
1082 FBA 0.8660
1083 HEW 0.8660
1084 4RU 0.8659
1085 DUC 0.8656
1086 FSW 0.8656
1087 JAW 0.8653
1088 1LN 0.8651
1089 O2A 0.8651
1090 ANN 0.8647
1091 9PY 0.8647
1092 JXZ 0.8646
1093 PCA 0.8642
1094 4J8 0.8637
1095 F1A 0.8636
1096 1XA 0.8635
1097 FBS 0.8634
1098 8HC 0.8633
1099 4JM 0.8629
1100 4CH 0.8628
1101 ICC 0.8628
1102 NBE 0.8623
1103 SS2 0.8621
1104 HA5 0.8620
1105 PEP 0.8619
1106 H62 0.8619
1107 H76 0.8618
1108 TZE 0.8617
1109 EOL 0.8616
1110 1AL 0.8614
1111 DHR 0.8613
1112 5NS 0.8611
1113 A09 0.8603
1114 TMT 0.8602
1115 EDR 0.8602
1116 QMP 0.8601
1117 DQA 0.8599
1118 PBR 0.8598
1119 0FK 0.8597
1120 MMA 0.8590
1121 CRN 0.8590
1122 UQ 0.8587
1123 AEF 0.8585
1124 R2B 0.8581
1125 RUU 0.8580
1126 1HN 0.8572
1127 4HS 0.8569
1128 2TQ 0.8567
1129 X0W 0.8566
1130 3TJ 0.8558
1131 JZ4 0.8551
1132 9FE 0.8546
1133 HLD 0.8538
1134 5WU 0.8521
1135 5DI 0.8520
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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