Receptor
PDB id Resolution Class Description Source Keywords
5AQS 2 Å EC: 3.6.3.51 FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIO OF ATP-BINDING SITE RESIDUES HOMO SAPIENS HEAT SHOCK PROTEIN HSP70 HSP72 HSC70 ATPASE BAG1 CHAPEFRAGMENT
Ref.: A FRAGMENT-BASED APPROACH APPLIED TO A HIGHLY FLEXI TARGET: INSIGHTS AND CHALLENGES TOWARDS THE INHIBIT HSP70 ISOFORMS. SCI REP V. 6 34701 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1SQ A:1382;
C:1382;
Valid;
Valid;
none;
none;
submit data
144.173 C9 H8 N2 c1ccc...
GOL B:1261;
C:1385;
A:1383;
B:1262;
A:1384;
A:1385;
C:1384;
C:1383;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LDQ 1.9 Å EC: 3.6.3.51 CRYSTAL STRUCTURE OF HSC70/BAG1 IN COMPLEX WITH SMALL MOLECU INHIBITOR HOMO SAPIENS GRP78 HSP70 HSC70 CHAPERONE HEAT SHOCK PROTEIN FOLDINGBINDING ADENOSINE NUCLEOSIDE NUCLEOTIDE-BINDING STRESS SMALL MOLECULE INHIBITOR SELECTIVITY PHOSPHOPROTEIN APOPNUCLEUS
Ref.: ADENOSINE-DERIVED INHIBITORS OF 78 KDA GLUCOSE REGU PROTEIN (GRP78) ATPASE: INSIGHTS INTO ISOFORM SELEC J.MED.CHEM. V. 54 4034 2011
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5AQP - 1LQ C8 H7 N3 c1ccc2c(c1....
2 5AQO - CWS C9 H9 N3 Cc1ccc2c(c....
3 3FZL - 3FD C25 H23 Cl2 N7 O4 c1cc(ccc1C....
4 5AQV - KC7 C21 H23 N3 O4 c1ccc(cc1)....
5 3FZH - 3BH C10 H14 N6 O4 c1nc(c2c(n....
6 3FZK - 3BK C17 H18 Cl2 N6 O4 c1cc(c(cc1....
7 3FZF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5AQN - JG8 C10 H6 N2 O2 c1ccc2c(c1....
9 5AQT - 5P7 C14 H17 N3 O3 c1ccc2c(c1....
10 5AQF - ADN C10 H13 N5 O4 c1nc(c2c(n....
11 3FZM - 3GO C28 H26 N8 O4 c1cc2cc(cc....
12 5AQI - ADE C5 H5 N5 c1[nH]c2c(....
13 5AQS - 1SQ C9 H8 N2 c1ccc2c(c1....
14 5AQH - ZVO C8 H8 N6 CN1c2c3c(c....
15 5AQK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 5AQG - ZJB C13 H16 N6 O4 CN1c2c3c(c....
17 5AQR - N8Y C9 H9 N3 O COc1ccc2c(....
18 3M3Z Kd = 12.36 uM 3F5 C13 H19 N7 O5 CNc1nc2c(n....
19 5AQU - UX0 C15 H19 N3 O4 COc1cccc2c....
20 3LDQ Kd = 2.41 uM 3P1 C20 H21 N7 O4 c1ccc2c(c1....
21 5AQJ - Q88 C5 H6 N6 c1nc(c2c(n....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5AQP - 1LQ C8 H7 N3 c1ccc2c(c1....
2 5AQO - CWS C9 H9 N3 Cc1ccc2c(c....
3 3FZL - 3FD C25 H23 Cl2 N7 O4 c1cc(ccc1C....
4 5AQV - KC7 C21 H23 N3 O4 c1ccc(cc1)....
5 3FZH - 3BH C10 H14 N6 O4 c1nc(c2c(n....
6 3FZK - 3BK C17 H18 Cl2 N6 O4 c1cc(c(cc1....
7 3FZF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5AQN - JG8 C10 H6 N2 O2 c1ccc2c(c1....
9 5AQT - 5P7 C14 H17 N3 O3 c1ccc2c(c1....
10 5AQF - ADN C10 H13 N5 O4 c1nc(c2c(n....
11 3FZM - 3GO C28 H26 N8 O4 c1cc2cc(cc....
12 5AQI - ADE C5 H5 N5 c1[nH]c2c(....
13 5AQS - 1SQ C9 H8 N2 c1ccc2c(c1....
14 5AQH - ZVO C8 H8 N6 CN1c2c3c(c....
15 5AQK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 5AQG - ZJB C13 H16 N6 O4 CN1c2c3c(c....
17 5AQR - N8Y C9 H9 N3 O COc1ccc2c(....
18 3M3Z Kd = 12.36 uM 3F5 C13 H19 N7 O5 CNc1nc2c(n....
19 5AQU - UX0 C15 H19 N3 O4 COc1cccc2c....
20 3LDQ Kd = 2.41 uM 3P1 C20 H21 N7 O4 c1ccc2c(c1....
21 5AQJ - Q88 C5 H6 N6 c1nc(c2c(n....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5AQP - 1LQ C8 H7 N3 c1ccc2c(c1....
2 5AQO - CWS C9 H9 N3 Cc1ccc2c(c....
3 3FZL - 3FD C25 H23 Cl2 N7 O4 c1cc(ccc1C....
4 5AQV - KC7 C21 H23 N3 O4 c1ccc(cc1)....
5 3FZH - 3BH C10 H14 N6 O4 c1nc(c2c(n....
6 3FZK - 3BK C17 H18 Cl2 N6 O4 c1cc(c(cc1....
7 3FZF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5AQN - JG8 C10 H6 N2 O2 c1ccc2c(c1....
9 5AQT - 5P7 C14 H17 N3 O3 c1ccc2c(c1....
10 5AQF - ADN C10 H13 N5 O4 c1nc(c2c(n....
11 3FZM - 3GO C28 H26 N8 O4 c1cc2cc(cc....
12 5AQI - ADE C5 H5 N5 c1[nH]c2c(....
13 5AQS - 1SQ C9 H8 N2 c1ccc2c(c1....
14 5AQH - ZVO C8 H8 N6 CN1c2c3c(c....
15 5AQK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 5AQG - ZJB C13 H16 N6 O4 CN1c2c3c(c....
17 5AQR - N8Y C9 H9 N3 O COc1ccc2c(....
18 3M3Z Kd = 12.36 uM 3F5 C13 H19 N7 O5 CNc1nc2c(n....
19 5AQU - UX0 C15 H19 N3 O4 COc1cccc2c....
20 3LDQ Kd = 2.41 uM 3P1 C20 H21 N7 O4 c1ccc2c(c1....
21 5AQJ - Q88 C5 H6 N6 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1SQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1SQ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 1SQ; Similar ligands found: 1190
No: Ligand Similarity coefficient
1 4YS 1.0000
2 JPZ 1.0000
3 1LQ 1.0000
4 N5J 1.0000
5 5Q0 1.0000
6 1NP 1.0000
7 5SG 1.0000
8 O72 1.0000
9 ES1 1.0000
10 5IQ 1.0000
11 1LM 1.0000
12 JBH 1.0000
13 HQY 1.0000
14 24W 1.0000
15 HH8 0.9951
16 4XH 0.9948
17 SVN 0.9848
18 Q88 0.9832
19 ISN 0.9831
20 KKN 0.9814
21 12Q 0.9814
22 HPA 0.9810
23 NPY 0.9809
24 ADE 0.9808
25 QUZ 0.9808
26 R8V 0.9803
27 HQT 0.9796
28 9EW 0.9794
29 5WV 0.9790
30 BTE 0.9786
31 1XN 0.9786
32 ES7 0.9777
33 BGC 0.9775
34 GLC 0.9773
35 F05 0.9769
36 KJH 0.9767
37 6MP 0.9766
38 5QX 0.9764
39 0P6 0.9762
40 M1Q 0.9762
41 7W4 0.9761
42 3WA 0.9759
43 TTL 0.9758
44 KUF 0.9757
45 JBQ 0.9756
46 ES0 0.9753
47 10L 0.9753
48 PXL 0.9753
49 A7W 0.9752
50 XYP 0.9752
51 SKA 0.9750
52 HLZ 0.9749
53 9DA 0.9748
54 6M4 0.9748
55 7WA 0.9747
56 BP1 0.9744
57 6M9 0.9742
58 SAL 0.9740
59 SWD 0.9739
60 8CM 0.9737
61 9HX 0.9737
62 M1A 0.9735
63 32X 0.9731
64 2D0 0.9730
65 7W1 0.9728
66 AZ8 0.9726
67 CWM 0.9722
68 495 0.9718
69 Q24 0.9716
70 7HP 0.9715
71 HLR 0.9715
72 ES4 0.9714
73 PE0 0.9713
74 LXC 0.9712
75 CWS 0.9711
76 0RW 0.9707
77 MT0 0.9706
78 DIN 0.9701
79 67N 0.9700
80 M5K 0.9696
81 DHQ 0.9695
82 AJ2 0.9688
83 1PT 0.9688
84 M6N 0.9683
85 HZQ 0.9682
86 9DG 0.9679
87 PM6 0.9678
88 4HC 0.9677
89 AZA 0.9677
90 I3A 0.9677
91 ADZ 0.9676
92 M0W 0.9675
93 25W 0.9675
94 2CK 0.9674
95 7HQ 0.9672
96 AQO 0.9671
97 5RG 0.9671
98 J9W 0.9670
99 MEW 0.9665
100 MRW 0.9663
101 M1H 0.9663
102 G6D 0.9663
103 CFP 0.9660
104 7B4 0.9658
105 7VS 0.9656
106 KT7 0.9650
107 GUN 0.9650
108 BHO 0.9649
109 3HA 0.9647
110 EQT 0.9645
111 XAN 0.9642
112 23A 0.9633
113 IGA 0.9631
114 DEN 0.9629
115 UNC 0.9623
116 ES6 0.9622
117 3F0 0.9615
118 DBJ 0.9610
119 A2F 0.9608
120 AHR 0.9608
121 3Z8 0.9604
122 3ID 0.9602
123 141 0.9599
124 3U4 0.9597
125 0W8 0.9596
126 4CS 0.9594
127 BE2 0.9593
128 3M0 0.9593
129 SWA 0.9593
130 6AP 0.9592
131 AZ9 0.9592
132 G3F 0.9589
133 290 0.9586
134 URC 0.9582
135 XXR 0.9581
136 M0Q 0.9580
137 JKE 0.9580
138 BOA 0.9580
139 9MG 0.9580
140 HJP 0.9571
141 FOT 0.9570
142 GIO 0.9570
143 DBH 0.9568
144 4SV 0.9568
145 3IT 0.9567
146 3PF 0.9566
147 JBK 0.9565
148 DRL 0.9565
149 4NC 0.9561
150 AZG 0.9557
151 1P7 0.9557
152 DX4 0.9557
153 QBK 0.9553
154 FE DB1 0.9551
155 5WX 0.9548
156 BDP 0.9544
157 1WD 0.9543
158 GTQ 0.9542
159 4JP 0.9541
160 5M0 0.9541
161 GAB 0.9537
162 JB5 0.9534
163 2AQ 0.9533
164 JBE 0.9530
165 COU 0.9526
166 IND 0.9526
167 DHB 0.9525
168 IJZ 0.9524
169 XQ0 0.9523
170 0N7 0.9523
171 BZX 0.9523
172 3HB 0.9522
173 8GC 0.9522
174 8S0 0.9518
175 7WV 0.9517
176 BZI 0.9517
177 DMD 0.9514
178 AX7 0.9513
179 270 0.9513
180 OXC 0.9513
181 GVH 0.9511
182 5NU 0.9511
183 APZ 0.9510
184 BCP 0.9510
185 EA1 0.9509
186 86J 0.9507
187 03V 0.9507
188 G3E 0.9507
189 7NI 0.9504
190 XM0 0.9503
191 5B1 0.9502
192 BZF 0.9501
193 F5B 0.9500
194 4FS 0.9499
195 14O 0.9499
196 JUG 0.9496
197 MO8 0.9495
198 54G 0.9493
199 BTY 0.9492
200 0R1 0.9491
201 GCS 0.9491
202 LZ1 0.9490
203 HQD 0.9490
204 6CS 0.9490
205 ABV 0.9488
206 H42 0.9488
207 IDM 0.9487
208 ES5 0.9486
209 OCH 0.9482
210 ORO 0.9482
211 VNL 0.9482
212 SOE 0.9481
213 5H1 0.9480
214 MPI 0.9479
215 YH7 0.9479
216 XYS 0.9477
217 HH5 0.9476
218 NQ 0.9476
219 CTL 0.9474
220 5QY 0.9474
221 GRE 0.9473
222 1XM 0.9472
223 B60 0.9471
224 5HN 0.9471
225 LSA 0.9470
226 1WG 0.9462
227 MAQ 0.9460
228 GAL 0.9460
229 ISE 0.9460
230 8TX 0.9459
231 B62 0.9458
232 2HQ 0.9457
233 0CT 0.9455
234 92K 0.9455
235 75K 0.9455
236 ADK 0.9455
237 Q6T 0.9454
238 F60 0.9454
239 2K4 0.9454
240 IV2 0.9452
241 VK3 0.9452
242 NCA 0.9452
243 RXA 0.9450
244 5CU 0.9450
245 39A 0.9449
246 SYV 0.9448
247 MUA 0.9448
248 4MU 0.9448
249 6AI 0.9446
250 6PC 0.9446
251 2MI 0.9445
252 BEZ 0.9443
253 3AB 0.9442
254 YCP 0.9442
255 3NT 0.9441
256 5MI 0.9440
257 M1E 0.9440
258 G1O 0.9439
259 0FO 0.9439
260 SE2 0.9438
261 53C 0.9438
262 173 0.9438
263 GYE 0.9438
264 XX2 0.9434
265 2ZV 0.9433
266 9TZ 0.9433
267 QX4 0.9431
268 HHA 0.9430
269 XHP 0.9430
270 FA0 0.9427
271 GDE 0.9427
272 MYJ 0.9426
273 XAZ 0.9425
274 FDB 0.9425
275 B55 0.9424
276 6F0 0.9423
277 P9P 0.9423
278 RSF 0.9423
279 AJV 0.9422
280 5JQ 0.9422
281 5MB 0.9419
282 RAM 0.9419
283 5RN 0.9417
284 BEN 0.9417
285 OVV 0.9416
286 B53 0.9415
287 0CU 0.9414
288 URF 0.9414
289 INO 0.9413
290 BEA 0.9411
291 BAM 0.9411
292 150 0.9409
293 C2U 0.9408
294 42C 0.9406
295 AKH 0.9405
296 5MK 0.9404
297 2CQ 0.9404
298 G5V 0.9403
299 D48 0.9401
300 6M1 0.9401
301 DOB 0.9400
302 42A 0.9400
303 34D 0.9399
304 PYQ 0.9399
305 J5I 0.9398
306 OTW 0.9396
307 JLZ 0.9396
308 4AA 0.9393
309 BHA 0.9389
310 NNO 0.9389
311 MCT 0.9389
312 AW5 0.9386
313 DQU 0.9386
314 L3Q 0.9385
315 NOJ 0.9385
316 ARB 0.9384
317 NDH 0.9380
318 YSO 0.9380
319 LT2 0.9380
320 44W 0.9378
321 2HO 0.9378
322 WCE 0.9376
323 4XR 0.9375
324 FHB 0.9374
325 4A3 0.9374
326 LZM 0.9373
327 JAE 0.9372
328 ASO 0.9372
329 DOR 0.9371
330 4M0 0.9370
331 E7Z 0.9369
332 DHK 0.9369
333 SX1 0.9368
334 12B 0.9367
335 NBZ 0.9367
336 0TR 0.9366
337 ES9 0.9364
338 6ME 0.9364
339 93K 0.9363
340 NIO 0.9363
341 D1X 0.9363
342 8IG 0.9361
343 JZ9 0.9360
344 EXO 0.9360
345 3HM 0.9359
346 2ZQ 0.9358
347 TDR 0.9358
348 15L 0.9357
349 3BZ 0.9354
350 PZA 0.9351
351 2AK 0.9351
352 3MA 0.9350
353 VGL 0.9350
354 UNU 0.9350
355 5WY 0.9350
356 6GU 0.9348
357 4HO 0.9347
358 7ZE 0.9345
359 GBD 0.9343
360 TEP 0.9342
361 WBU 0.9338
362 BRT 0.9337
363 MWM 0.9336
364 BE7 0.9333
365 CHB 0.9332
366 TH7 0.9332
367 9TW 0.9331
368 NTN 0.9331
369 GAG 0.9328
370 PZI 0.9328
371 11S 0.9327
372 NK 0.9327
373 1DW 0.9326
374 F0J 0.9325
375 4ZE 0.9325
376 OXQ 0.9324
377 FK1 0.9323
378 MWP 0.9323
379 FUL 0.9322
380 MVN 0.9321
381 44V 0.9321
382 H4N 0.9320
383 5JL 0.9319
384 XBZ 0.9317
385 B57 0.9316
386 9KT 0.9316
387 HMH 0.9316
388 7CZ 0.9316
389 XQG 0.9315
390 NTM 0.9313
391 5OB 0.9312
392 FYU 0.9311
393 0MK 0.9308
394 V55 0.9306
395 1MC 0.9304
396 SS1 0.9301
397 CFF 0.9299
398 GCU 0.9298
399 KJY 0.9296
400 2AC 0.9294
401 TOF 0.9292
402 SKM 0.9290
403 A1U 0.9287
404 8WT 0.9287
405 4M4 0.9287
406 2YU 0.9286
407 KYD 0.9286
408 HY3 0.9285
409 JIF 0.9284
410 DIU 0.9281
411 2MP 0.9279
412 3MB 0.9279
413 TH0 0.9279
414 5AC 0.9275
415 4JT 0.9273
416 NDM 0.9272
417 P92 0.9272
418 VNJ 0.9270
419 34A 0.9270
420 PHT 0.9270
421 2EC 0.9268
422 CTS 0.9267
423 37T 0.9266
424 8NY 0.9265
425 4Z4 0.9264
426 OVM 0.9263
427 3RK 0.9263
428 MBD 0.9261
429 RIP 0.9261
430 XYD 0.9259
431 ICP 0.9258
432 SXS 0.9258
433 PYD 0.9256
434 DIE 0.9255
435 5UC 0.9255
436 KJU 0.9252
437 2AL 0.9252
438 A29 0.9251
439 43M 0.9251
440 NPO 0.9250
441 GTR 0.9250
442 P3K 0.9249
443 HIS 0.9248
444 PFB 0.9247
445 GLA 0.9247
446 TM7 0.9245
447 LGC 0.9244
448 4ME 0.9244
449 ET2 0.9242
450 4JJ 0.9241
451 RM1 0.9240
452 HFB 0.9239
453 ICO 0.9239
454 PBC 0.9236
455 FUC 0.9235
456 J9T 0.9234
457 HT4 0.9234
458 INS 0.9234
459 AC0 0.9233
460 60P 0.9232
461 S76 0.9232
462 D07 0.9229
463 MZG 0.9228
464 64K 0.9227
465 CLW 0.9226
466 2H5 0.9225
467 149 0.9225
468 45C 0.9224
469 4CL 0.9223
470 7ME 0.9220
471 KOJ 0.9220
472 97T 0.9219
473 M58 0.9218
474 FGZ 0.9217
475 SOR 0.9217
476 KLW 0.9216
477 JZ3 0.9215
478 EKZ 0.9215
479 7VJ 0.9214
480 N8Y 0.9212
481 PHB 0.9212
482 1P3 0.9212
483 DPZ 0.9209
484 KIB 0.9209
485 3Z7 0.9208
486 36R 0.9206
487 ES2 0.9205
488 FBB 0.9204
489 2FG 0.9204
490 IHB 0.9203
491 QSB 0.9202
492 5MH 0.9202
493 2A7 0.9201
494 QSC 0.9200
495 JZ2 0.9200
496 FBT 0.9197
497 MQN 0.9197
498 7MH 0.9197
499 FBV 0.9196
500 RMN 0.9196
501 680 0.9195
502 F4Z 0.9192
503 ZVO 0.9188
504 FAN 0.9188
505 24B 0.9188
506 SHG 0.9187
507 82I 0.9186
508 NIZ 0.9186
509 4JQ 0.9185
510 5JC 0.9185
511 PYG 0.9185
512 LI6 0.9183
513 NID 0.9183
514 IFL 0.9182
515 J9Q 0.9182
516 1P8 0.9181
517 5VM 0.9180
518 OAA 0.9180
519 NOY 0.9178
520 FLM 0.9177
521 K2T 0.9175
522 3MC 0.9175
523 BR9 0.9174
524 F31 0.9174
525 DUB 0.9173
526 0FN 0.9173
527 CLZ 0.9172
528 RM4 0.9172
529 SHA 0.9171
530 QSH 0.9171
531 5RO 0.9165
532 3FA 0.9164
533 HMU 0.9163
534 27Y 0.9162
535 SRO 0.9160
536 MWJ 0.9160
537 0JD 0.9159
538 INE 0.9158
539 GMN 0.9158
540 6VD 0.9157
541 CFI 0.9157
542 GJS 0.9156
543 DBX 0.9156
544 QPR 0.9156
545 6RQ 0.9155
546 ZZT 0.9155
547 DNF 0.9154
548 G2F 0.9154
549 TTY 0.9152
550 3SK 0.9150
551 TC7 0.9150
552 4YO 0.9149
553 51R 0.9149
554 R8A 0.9148
555 JXN 0.9147
556 NTZ 0.9147
557 GM7 0.9146
558 BZ3 0.9146
559 QWN 0.9145
560 PAB 0.9144
561 KBG 0.9144
562 39O 0.9143
563 7B3 0.9143
564 J1Z 0.9142
565 3ZQ 0.9141
566 FCA 0.9140
567 UEG 0.9140
568 WOO 0.9137
569 ISZ 0.9135
570 2FQ 0.9135
571 3OC 0.9135
572 MFB 0.9134
573 HBD 0.9133
574 EYK 0.9132
575 2C9 0.9132
576 2CM 0.9132
577 ALL 0.9132
578 7WR 0.9130
579 EVA 0.9130
580 3DO 0.9130
581 VGD 0.9129
582 A13 0.9128
583 6MH 0.9128
584 MAN 0.9127
585 3FH 0.9127
586 DFB 0.9127
587 FCB 0.9127
588 1Y6 0.9126
589 5CL 0.9126
590 IT2 0.9126
591 329 0.9125
592 T6C 0.9125
593 4ZC 0.9125
594 0TU 0.9124
595 826 0.9124
596 PXM 0.9124
597 4JO 0.9124
598 BCF 0.9123
599 IFP 0.9121
600 FFP 0.9121
601 PA1 0.9121
602 LDP 0.9119
603 M2K 0.9116
604 9FL 0.9112
605 Q7A 0.9112
606 LKA 0.9112
607 8OZ 0.9111
608 5XC 0.9108
609 TIU 0.9108
610 3DM 0.9106
611 P72 0.9105
612 UAN 0.9105
613 8WO 0.9105
614 8H8 0.9105
615 35C 0.9104
616 PBZ 0.9103
617 XIY 0.9101
618 X05 0.9100
619 X09 0.9100
620 ARA 0.9100
621 5GU 0.9099
622 2MY 0.9099
623 4MA 0.9098
624 JFD 0.9098
625 PRF 0.9096
626 NSP 0.9096
627 GIV 0.9095
628 BBF 0.9094
629 DQN 0.9093
630 DFU 0.9093
631 FPY 0.9093
632 MS9 0.9092
633 PCI 0.9092
634 JND 0.9090
635 XCZ 0.9088
636 HX3 0.9088
637 QAT 0.9087
638 QXW 0.9087
639 Z82 0.9087
640 EUG 0.9086
641 AZF 0.9084
642 GZL 0.9081
643 GVG 0.9081
644 Z5P 0.9080
645 3XX 0.9080
646 23J 0.9080
647 R9Y 0.9080
648 MLT 0.9076
649 GOG 0.9075
650 TLD 0.9075
651 ASC 0.9074
652 GCB 0.9071
653 IFM 0.9070
654 12M 0.9070
655 GZ8 0.9067
656 SJ5 0.9067
657 YQA 0.9063
658 G4D 0.9063
659 3CE 0.9062
660 X0V 0.9062
661 FB1 0.9060
662 Q71 0.9060
663 I1N 0.9060
664 NMJ 0.9055
665 1GN 0.9054
666 Y8I 0.9049
667 RNS 0.9049
668 PHH 0.9048
669 QOS 0.9048
670 OW4 0.9048
671 AJY 0.9046
672 HNQ 0.9044
673 TM4 0.9041
674 174 0.9040
675 OMD 0.9040
676 QAS 0.9038
677 1M2 0.9038
678 F81 0.9036
679 IUR 0.9036
680 F12 0.9036
681 X6X 0.9032
682 GOO 0.9032
683 IBF 0.9030
684 BK9 0.9029
685 F3B 0.9026
686 1KP 0.9026
687 282 0.9024
688 LCN 0.9022
689 IPB 0.9020
690 PQ0 0.9020
691 DGJ 0.9020
692 GAF 0.9020
693 PX7 0.9019
694 BMA 0.9019
695 ASP 0.9018
696 JTH 0.9015
697 4HM 0.9014
698 4TU 0.9013
699 4P5 0.9013
700 GXY 0.9012
701 RIB 0.9011
702 QWW 0.9010
703 R8S 0.9009
704 2FY 0.9008
705 MBG 0.9008
706 40O 0.9008
707 261 0.9007
708 MR1 0.9007
709 CN0 0.9006
710 ADA 0.9006
711 2DR 0.9006
712 L99 0.9005
713 0R0 0.9004
714 209 0.9002
715 FBW 0.9002
716 RPQ 0.8999
717 2PC 0.8999
718 AFR 0.8997
719 54D 0.8997
720 286 0.8995
721 YTB 0.8994
722 URQ 0.8993
723 PRO 0.8992
724 4SX 0.8991
725 SYN 0.8990
726 VXX 0.8990
727 OXE 0.8990
728 3R6 0.8989
729 UFO 0.8988
730 H33 0.8986
731 CAQ 0.8986
732 HBA 0.8986
733 069 0.8984
734 AC6 0.8983
735 B5D 0.8983
736 YIO 0.8983
737 20J 0.8982
738 RSO 0.8982
739 PBA 0.8981
740 BR8 0.8981
741 RHU 0.8978
742 FBM 0.8975
743 7MU 0.8974
744 9CA 0.8974
745 PY7 0.8973
746 ZZ3 0.8972
747 8ZE 0.8972
748 4XV 0.8971
749 1IT 0.8971
750 0HO 0.8971
751 4FH 0.8971
752 PDC 0.8971
753 PHU 0.8970
754 TWO 0.8970
755 M4T 0.8969
756 OA3 0.8967
757 JA8 0.8966
758 ZYR 0.8966
759 15E 0.8966
760 NK2 0.8966
761 AMC 0.8966
762 I6G 0.8965
763 ABN 0.8965
764 GXL 0.8963
765 94N 0.8962
766 HBX 0.8961
767 TGX 0.8960
768 TBS 0.8960
769 JFJ 0.8960
770 3NY 0.8959
771 F9P 0.8956
772 5NE 0.8953
773 TBP 0.8953
774 XXP 0.8952
775 OXZ 0.8951
776 QX2 0.8950
777 FP1 0.8950
778 N2I 0.8950
779 VOH 0.8949
780 SW7 0.8948
781 717 0.8948
782 ODO 0.8948
783 SRT 0.8947
784 8W9 0.8947
785 3MG 0.8947
786 FUF 0.8946
787 PH2 0.8946
788 8XQ 0.8945
789 1U6 0.8945
790 MZB 0.8943
791 FPI 0.8943
792 PEY 0.8942
793 2A9 0.8942
794 HIO 0.8941
795 PRZ 0.8940
796 3MH 0.8940
797 KBB 0.8939
798 IF7 0.8937
799 6NT 0.8937
800 MVL 0.8936
801 UFV 0.8935
802 EJZ 0.8933
803 2LY 0.8933
804 FOA 0.8932
805 265 0.8931
806 QIC 0.8931
807 PYC 0.8930
808 APG 0.8930
809 FBU 0.8929
810 0HN 0.8929
811 2BG 0.8928
812 K17 0.8926
813 IDH 0.8926
814 AX2 0.8924
815 KIA 0.8923
816 DEE 0.8923
817 FCR 0.8923
818 SMV 0.8923
819 X8D 0.8922
820 92P 0.8921
821 EV0 0.8921
822 ZZ8 0.8921
823 RB5 0.8921
824 FB2 0.8920
825 MSN 0.8919
826 6UA 0.8918
827 2MN 0.8917
828 MNM 0.8917
829 PYF 0.8916
830 HXX 0.8916
831 FPK 0.8915
832 FDR 0.8915
833 NEQ 0.8915
834 FBG 0.8914
835 HKD 0.8914
836 LYL 0.8914
837 4XS 0.8912
838 JG8 0.8912
839 RCO 0.8912
840 K34 0.8911
841 MHK 0.8911
842 WOT 0.8910
843 ABE 0.8910
844 HQJ 0.8910
845 284 0.8910
846 GLF 0.8909
847 DYA 0.8909
848 PAF 0.8909
849 275 0.8908
850 PAC 0.8908
851 226 0.8908
852 13X 0.8907
853 BEW 0.8906
854 L89 0.8906
855 TP5 0.8904
856 OVP 0.8903
857 2LP 0.8903
858 2AF 0.8903
859 C2Y 0.8902
860 92Z 0.8902
861 SVD 0.8902
862 ZWZ 0.8900
863 1AN 0.8900
864 C21 0.8898
865 URA 0.8898
866 HA7 0.8898
867 FLV 0.8896
868 4VP 0.8895
869 0LH 0.8894
870 XYL 0.8890
871 3C1 0.8890
872 8LG 0.8890
873 TSS 0.8890
874 IPZ 0.8890
875 TAR 0.8889
876 FP2 0.8888
877 FDK 0.8888
878 GV9 0.8887
879 JBN 0.8887
880 LMR 0.8886
881 GOX 0.8885
882 HHR 0.8884
883 XBT 0.8883
884 9RW 0.8881
885 SYA 0.8881
886 3AY 0.8880
887 CRS 0.8879
888 95Z 0.8877
889 LG5 0.8875
890 94B 0.8874
891 TLA 0.8873
892 G12 0.8873
893 F9Y 0.8872
894 2ZM 0.8872
895 TZC 0.8872
896 MAK 0.8870
897 3C2 0.8870
898 2CH 0.8869
899 DX3 0.8867
900 TPA 0.8867
901 52C 0.8867
902 ENL 0.8867
903 26D 0.8866
904 DMJ 0.8865
905 GLY PRO 0.8863
906 FA3 0.8863
907 0F9 0.8862
908 PHE 0.8862
909 XUL 0.8862
910 WDL 0.8860
911 LG3 0.8860
912 9TY 0.8860
913 JZ0 0.8859
914 AAS 0.8858
915 CYT 0.8857
916 3CH 0.8857
917 AS3 0.8854
918 AIN 0.8852
919 091 0.8850
920 ERH 0.8849
921 KIV 0.8849
922 76X 0.8848
923 5ZE 0.8847
924 CH9 0.8846
925 ESI 0.8845
926 AEZ 0.8842
927 PMB 0.8841
928 ABI 0.8840
929 Q77 0.8840
930 ROI 0.8839
931 2HU 0.8837
932 93Q 0.8836
933 KDV 0.8835
934 4PW 0.8835
935 BNS 0.8833
936 3SL 0.8832
937 BCU 0.8831
938 GLT 0.8831
939 GCO 0.8831
940 GIM 0.8830
941 06B 0.8830
942 FA1 0.8830
943 SMN 0.8828
944 6KX 0.8827
945 E3D 0.8825
946 5NI 0.8824
947 273 0.8823
948 6BL 0.8821
949 2MH 0.8820
950 BPU 0.8816
951 TT4 0.8816
952 K5W 0.8814
953 JZ1 0.8814
954 L5V 0.8813
955 260 0.8813
956 BVF 0.8812
957 K6X 0.8812
958 9R5 0.8812
959 FH2 0.8811
960 47J 0.8810
961 HTS 0.8809
962 TSU 0.8809
963 6LW 0.8809
964 2PG 0.8808
965 URP 0.8804
966 2KA 0.8803
967 JU2 0.8803
968 BDF 0.8802
969 MT5 0.8802
970 ZB1 0.8800
971 28N 0.8800
972 OK7 0.8798
973 GIF 0.8798
974 LNR 0.8795
975 1X7 0.8795
976 NVU 0.8795
977 6OT 0.8792
978 1F1 0.8792
979 948 0.8791
980 1MR 0.8790
981 HDH 0.8790
982 2ZX 0.8790
983 LDR 0.8790
984 3A9 0.8784
985 4JU 0.8784
986 4ZA 0.8783
987 ZBT 0.8783
988 JAB 0.8782
989 1XX 0.8782
990 PLQ 0.8782
991 IP0 0.8782
992 18N 0.8780
993 9AP 0.8780
994 NCT 0.8780
995 4WL 0.8780
996 8GF 0.8779
997 N8P 0.8779
998 14J 0.8777
999 FRU 0.8776
1000 MXN 0.8774
1001 DHS 0.8773
1002 938 0.8772
1003 2F6 0.8771
1004 23W 0.8769
1005 EDR 0.8768
1006 HTP 0.8766
1007 4P0 0.8765
1008 SAN 0.8765
1009 2XX 0.8764
1010 JZ5 0.8764
1011 CWJ 0.8763
1012 MRZ 0.8763
1013 GCW 0.8761
1014 6NI 0.8760
1015 JKZ 0.8760
1016 TFU 0.8760
1017 K32 0.8759
1018 HQE 0.8759
1019 CGB 0.8759
1020 AUD 0.8759
1021 FQI 0.8758
1022 FLC 0.8756
1023 KPL 0.8755
1024 H8N 0.8755
1025 0XT 0.8754
1026 YAN 0.8752
1027 FPN 0.8752
1028 NBE 0.8751
1029 ZZZ 0.8751
1030 DUC 0.8751
1031 94W 0.8750
1032 PCR 0.8749
1033 8GK 0.8748
1034 ZXD 0.8746
1035 CXF 0.8746
1036 C2A 0.8743
1037 JXZ 0.8743
1038 ONR 0.8741
1039 LG4 0.8741
1040 DA1 0.8740
1041 AGK 0.8738
1042 SF9 0.8738
1043 BNT 0.8736
1044 PBE 0.8734
1045 0FK 0.8734
1046 RD4 0.8734
1047 N7P 0.8733
1048 EN1 0.8732
1049 8HC 0.8731
1050 0W1 0.8731
1051 KTA 0.8730
1052 6HQ 0.8727
1053 7N0 0.8725
1054 ECE 0.8722
1055 K22 0.8721
1056 1DU 0.8720
1057 PEA 0.8720
1058 PD2 0.8719
1059 H3M 0.8718
1060 GCV 0.8717
1061 JXW 0.8715
1062 FBA 0.8714
1063 AMG 0.8714
1064 6X8 0.8713
1065 HA5 0.8712
1066 EOL 0.8712
1067 3AL 0.8710
1068 DNC 0.8710
1069 1AL 0.8709
1070 463 0.8708
1071 NGO 0.8708
1072 285 0.8708
1073 9FE 0.8707
1074 25R 0.8706
1075 F1A 0.8705
1076 15N 0.8705
1077 NCD 0.8705
1078 PKU 0.8704
1079 B3R 0.8702
1080 PNZ 0.8700
1081 PXY 0.8697
1082 MFU 0.8697
1083 7D2 0.8696
1084 D3M 0.8696
1085 1DV 0.8693
1086 4RU 0.8692
1087 1DQ 0.8691
1088 CIG 0.8688
1089 BZ2 0.8687
1090 ASN 0.8687
1091 TZE 0.8686
1092 BSP 0.8684
1093 HGQ 0.8684
1094 FSW 0.8684
1095 II6 0.8684
1096 5NS 0.8683
1097 X0W 0.8678
1098 4JM 0.8678
1099 M3T 0.8678
1100 YHO 0.8678
1101 9PY 0.8676
1102 HEW 0.8675
1103 DHR 0.8672
1104 XXG 0.8672
1105 GTZ 0.8670
1106 1XA 0.8670
1107 MAE 0.8670
1108 Q02 0.8669
1109 KTW 0.8668
1110 M4E 0.8666
1111 4XX 0.8666
1112 GT0 0.8663
1113 M2H 0.8663
1114 4H2 0.8663
1115 O2A 0.8663
1116 ANN 0.8661
1117 LRH 0.8660
1118 UY7 0.8660
1119 E35 0.8659
1120 PIM 0.8657
1121 PCA 0.8653
1122 TMZ 0.8651
1123 QMP 0.8650
1124 HLD 0.8650
1125 GTL 0.8647
1126 4CH 0.8645
1127 PBR 0.8644
1128 E7S 0.8644
1129 4J8 0.8644
1130 K8X 0.8642
1131 PIY 0.8640
1132 TCZ 0.8638
1133 H6B 0.8638
1134 A09 0.8637
1135 ESP 0.8637
1136 JAW 0.8636
1137 H62 0.8634
1138 HSE 0.8632
1139 GJP 0.8629
1140 FBS 0.8626
1141 LZ2 0.8626
1142 PFL 0.8626
1143 4NM 0.8625
1144 BML 0.8622
1145 2TQ 0.8619
1146 FLA 0.8618
1147 4HS 0.8616
1148 1HN 0.8613
1149 0GZ 0.8613
1150 AEF 0.8608
1151 H7Y 0.8608
1152 PEP 0.8604
1153 AY4 0.8604
1154 AH8 0.8603
1155 RUU 0.8602
1156 8NX 0.8601
1157 SS2 0.8596
1158 RAT 0.8596
1159 QY9 0.8595
1160 E1T 0.8594
1161 TYL 0.8594
1162 YRL 0.8594
1163 KYA 0.8593
1164 JB8 0.8590
1165 3TJ 0.8590
1166 R2B 0.8589
1167 DQA 0.8588
1168 TMT 0.8587
1169 1LN 0.8586
1170 6FZ 0.8585
1171 PEL 0.8581
1172 259 0.8581
1173 CRN 0.8576
1174 XX3 0.8571
1175 ICC 0.8568
1176 HHQ 0.8566
1177 H76 0.8564
1178 MMA 0.8562
1179 XSP 0.8562
1180 EMZ 0.8560
1181 5WU 0.8558
1182 BZJ 0.8557
1183 4JN 0.8555
1184 UQ 0.8551
1185 ICB 0.8548
1186 4AN 0.8535
1187 J6W 0.8535
1188 7WG 0.8534
1189 C9E 0.8531
1190 GYP 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LDQ; Ligand: 3P1; 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: 3ldq.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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