Receptor
PDB id Resolution Class Description Source Keywords
5AQJ 1.96 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
CL E:1382;
A:1382;
C:1382;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
35.453 Cl [Cl-]
GOL E:1384;
E:1385;
D:1261;
C:1386;
C:1387;
C:1384;
C:1388;
C:1390;
C:1389;
E:1387;
B:1261;
C:1385;
F:1261;
A:1384;
A:1385;
E:1386;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
DMS C:1391;
A:1386;
E:1388;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
Q88 E:1383;
A:1383;
C:1383;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
150.141 C5 H6 N6 c1nc(...
TRS A:1387;
E:1389;
 Invalid;
Invalid;
 none;
none;
 submit data
122.143 C4 H12 N 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: Q88; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 Q88 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: Q88; Similar ligands found: 1367
No: Ligand Similarity coefficient
1 ES0 1.0000
2 CWM 1.0000
3 2D0 0.9883
4 1SQ 0.9832
5 N5J 0.9823
6 5IQ 0.9820
7 O72 0.9812
8 1LQ 0.9811
9 JBH 0.9811
10 JPZ 0.9810
11 5SG 0.9808
12 5Q0 0.9807
13 ES1 0.9807
14 4YS 0.9805
15 1LM 0.9804
16 1NP 0.9796
17 10L 0.9790
18 HQY 0.9789
19 ADE 0.9786
20 URC 0.9774
21 HPA 0.9763
22 7HP 0.9760
23 AX7 0.9759
24 270 0.9756
25 BGC 0.9754
26 GLC 0.9753
27 24W 0.9749
28 9DA 0.9748
29 CWS 0.9734
30 SWA 0.9730
31 9HX 0.9730
32 G3F 0.9725
33 BP1 0.9723
34 2MI 0.9721
35 GCS 0.9719
36 6MP 0.9718
37 SWD 0.9716
38 7WA 0.9714
39 P92 0.9713
40 BTY 0.9705
41 4XH 0.9702
42 A7W 0.9700
43 KT7 0.9696
44 HH8 0.9694
45 ES4 0.9687
46 PM6 0.9684
47 1P7 0.9683
48 XAZ 0.9680
49 0P6 0.9674
50 8WT 0.9672
51 M1A 0.9664
52 8S0 0.9661
53 B55 0.9659
54 8TX 0.9658
55 BTE 0.9656
56 75K 0.9655
57 ABV 0.9645
58 LGC 0.9644
59 KUF 0.9644
60 67N 0.9643
61 5JQ 0.9636
62 3DO 0.9629
63 F0J 0.9629
64 23A 0.9623
65 8IG 0.9622
66 5RG 0.9622
67 03V 0.9619
68 LCN 0.9616
69 R8V 0.9615
70 DHK 0.9606
71 12Q 0.9606
72 GTQ 0.9605
73 MRW 0.9604
74 8CM 0.9600
75 4XR 0.9600
76 JB5 0.9598
77 DIN 0.9598
78 KKN 0.9595
79 A2F 0.9589
80 V55 0.9588
81 5JL 0.9586
82 1XN 0.9586
83 CFP 0.9582
84 G2F 0.9579
85 GUN 0.9579
86 NOJ 0.9578
87 AZA 0.9578
88 BZX 0.9578
89 5B1 0.9577
90 5QX 0.9576
91 SVN 0.9575
92 5WV 0.9574
93 JND 0.9573
94 COU 0.9572
95 AHR 0.9572
96 9DG 0.9571
97 KBG 0.9570
98 IGA 0.9570
99 ISN 0.9569
100 XYP 0.9568
101 ASO 0.9565
102 ES5 0.9565
103 4FS 0.9564
104 6AP 0.9564
105 IFM 0.9560
106 IFL 0.9558
107 IV2 0.9557
108 JAE 0.9556
109 25W 0.9556
110 ES7 0.9554
111 9EW 0.9554
112 QBK 0.9553
113 XM0 0.9552
114 KOJ 0.9550
115 HQT 0.9550
116 HLZ 0.9548
117 2AQ 0.9548
118 7W1 0.9547
119 290 0.9545
120 PZI 0.9543
121 DHB 0.9543
122 6GU 0.9541
123 4NC 0.9539
124 S76 0.9538
125 3ID 0.9538
126 QUZ 0.9538
127 6AI 0.9537
128 6M4 0.9536
129 AZ8 0.9536
130 GAL 0.9534
131 SAL 0.9533
132 HLR 0.9531
133 XAN 0.9531
134 L3Q 0.9530
135 NOY 0.9528
136 4M4 0.9528
137 1PT 0.9527
138 EUG 0.9526
139 3Z8 0.9524
140 ET2 0.9523
141 G6D 0.9521
142 JZ9 0.9515
143 GDE 0.9515
144 495 0.9514
145 MT0 0.9511
146 7W4 0.9511
147 7VS 0.9510
148 7HQ 0.9510
149 141 0.9510
150 4CS 0.9510
151 DEN 0.9507
152 F05 0.9506
153 XQ0 0.9506
154 JIF 0.9505
155 I3A 0.9505
156 4HM 0.9504
157 M0Q 0.9504
158 AZG 0.9503
159 SOE 0.9503
160 NPY 0.9502
161 UNC 0.9499
162 5M0 0.9499
163 FOT 0.9499
164 M0W 0.9498
165 4HC 0.9498
166 54G 0.9498
167 URF 0.9498
168 XIY 0.9497
169 6CS 0.9496
170 OCH 0.9495
171 0W8 0.9495
172 DBJ 0.9494
173 M6N 0.9494
174 5H1 0.9491
175 ADK 0.9491
176 Q24 0.9489
177 DX4 0.9488
178 6M9 0.9487
179 APZ 0.9487
180 OXC 0.9486
181 2FG 0.9485
182 14O 0.9485
183 NMJ 0.9485
184 AFR 0.9481
185 VNL 0.9480
186 8GC 0.9480
187 BOA 0.9479
188 XX2 0.9478
189 HZQ 0.9478
190 5MB 0.9478
191 5MI 0.9477
192 3Z7 0.9477
193 2CK 0.9476
194 TTL 0.9475
195 9MG 0.9475
196 F60 0.9474
197 JBE 0.9474
198 EA1 0.9473
199 2K4 0.9473
200 ORO 0.9473
201 M5K 0.9472
202 MCT 0.9472
203 IDM 0.9471
204 MUA 0.9470
205 GIO 0.9467
206 1XM 0.9467
207 BDP 0.9467
208 4HO 0.9466
209 0RW 0.9466
210 H42 0.9464
211 BZI 0.9463
212 LZ1 0.9462
213 3NT 0.9461
214 JLZ 0.9461
215 DOR 0.9460
216 DMD 0.9460
217 SHA 0.9458
218 M1H 0.9457
219 HH5 0.9456
220 LXC 0.9456
221 0R1 0.9454
222 3F0 0.9454
223 MPI 0.9453
224 4JP 0.9452
225 MWM 0.9452
226 ADZ 0.9451
227 IND 0.9451
228 1MC 0.9451
229 4ZE 0.9450
230 7NI 0.9450
231 MZG 0.9449
232 TH7 0.9448
233 ES9 0.9448
234 86J 0.9448
235 BZF 0.9447
236 2AC 0.9446
237 P9P 0.9446
238 GVH 0.9444
239 Q6T 0.9443
240 36R 0.9442
241 G4D 0.9441
242 BCP 0.9441
243 2A7 0.9440
244 11S 0.9439
245 XBZ 0.9439
246 M1E 0.9439
247 94B 0.9437
248 WBU 0.9437
249 2YU 0.9437
250 5OB 0.9437
251 CLW 0.9436
252 3HA 0.9436
253 SKA 0.9436
254 CTL 0.9435
255 IJZ 0.9435
256 3HB 0.9435
257 INO 0.9435
258 RM1 0.9435
259 5XC 0.9434
260 MYJ 0.9433
261 AJ2 0.9432
262 A1U 0.9432
263 7B4 0.9432
264 2EC 0.9432
265 ALL 0.9431
266 1GN 0.9431
267 D1X 0.9431
268 PE0 0.9430
269 HJP 0.9430
270 AQO 0.9429
271 VGD 0.9428
272 3M0 0.9428
273 9TZ 0.9426
274 MEW 0.9425
275 DBH 0.9424
276 NNO 0.9424
277 82I 0.9423
278 5NU 0.9423
279 3U4 0.9422
280 5HN 0.9421
281 GIV 0.9421
282 FE DB1 0.9420
283 BEA 0.9420
284 2HQ 0.9420
285 EQT 0.9418
286 7MH 0.9418
287 275 0.9418
288 JKE 0.9417
289 BR9 0.9417
290 1DW 0.9416
291 PXL 0.9416
292 1P8 0.9415
293 4SV 0.9415
294 34D 0.9415
295 TM7 0.9414
296 HT4 0.9414
297 42C 0.9414
298 BE2 0.9414
299 5MK 0.9412
300 5VM 0.9412
301 FH2 0.9411
302 OXZ 0.9411
303 AZ9 0.9411
304 4CL 0.9411
305 P3K 0.9410
306 B57 0.9410
307 4A3 0.9409
308 5JC 0.9409
309 4JJ 0.9409
310 GAB 0.9408
311 2HO 0.9408
312 NIZ 0.9407
313 2H5 0.9406
314 MWJ 0.9406
315 GLA 0.9405
316 ICP 0.9405
317 XYD 0.9404
318 0CT 0.9403
319 149 0.9402
320 GXL 0.9401
321 AW5 0.9401
322 FHB 0.9400
323 34A 0.9400
324 4XV 0.9399
325 SKM 0.9398
326 SXS 0.9398
327 3WA 0.9398
328 SX1 0.9398
329 TDR 0.9398
330 J9T 0.9397
331 3HM 0.9397
332 27Y 0.9397
333 VOH 0.9396
334 1M2 0.9395
335 ES2 0.9395
336 93K 0.9395
337 2MP 0.9394
338 4ME 0.9394
339 PYD 0.9393
340 AKH 0.9392
341 OMD 0.9391
342 YIO 0.9390
343 GAF 0.9389
344 717 0.9389
345 GYE 0.9388
346 92K 0.9388
347 DMJ 0.9387
348 FA0 0.9387
349 H4N 0.9387
350 3AB 0.9386
351 DIE 0.9385
352 YH7 0.9384
353 JBQ 0.9382
354 T6C 0.9382
355 WCE 0.9382
356 CHB 0.9381
357 HMH 0.9381
358 3PF 0.9380
359 948 0.9379
360 DOB 0.9378
361 BHA 0.9378
362 4M0 0.9378
363 FK1 0.9378
364 BZ3 0.9378
365 OVV 0.9378
366 JBK 0.9377
367 YCP 0.9377
368 FDK 0.9375
369 FUL 0.9374
370 2LP 0.9373
371 3OC 0.9372
372 FYU 0.9372
373 5CU 0.9372
374 LZM 0.9371
375 N8Y 0.9369
376 JZ2 0.9369
377 ES6 0.9367
378 NDH 0.9366
379 FDB 0.9365
380 4ZC 0.9365
381 GLF 0.9364
382 R8S 0.9364
383 XQG 0.9363
384 MR1 0.9362
385 HX3 0.9362
386 1WD 0.9361
387 0CU 0.9361
388 2AL 0.9361
389 261 0.9360
390 DGJ 0.9359
391 FBB 0.9358
392 TH0 0.9358
393 0FO 0.9355
394 3MG 0.9354
395 53C 0.9354
396 9TW 0.9353
397 K2T 0.9352
398 ISZ 0.9351
399 X6X 0.9350
400 5WX 0.9350
401 NCA 0.9350
402 LYL 0.9348
403 F5B 0.9348
404 RSF 0.9347
405 42A 0.9347
406 HQD 0.9346
407 5MH 0.9346
408 BEZ 0.9346
409 MWP 0.9345
410 5UC 0.9345
411 6PC 0.9344
412 SOR 0.9343
413 MNM 0.9342
414 SYV 0.9342
415 32X 0.9341
416 XXR 0.9341
417 069 0.9340
418 WOO 0.9340
419 EVA 0.9340
420 4JT 0.9339
421 G5V 0.9336
422 KJH 0.9334
423 NBZ 0.9333
424 GLT 0.9332
425 PA1 0.9331
426 EV0 0.9331
427 35C 0.9330
428 3MA 0.9330
429 45L 0.9329
430 FP1 0.9329
431 BEN 0.9329
432 2BG 0.9328
433 6RQ 0.9328
434 SHG 0.9325
435 DHQ 0.9325
436 FPY 0.9324
437 BAM 0.9324
438 43M 0.9322
439 C2U 0.9321
440 B62 0.9321
441 12M 0.9320
442 4MU 0.9319
443 SJ5 0.9317
444 RIP 0.9317
445 BSX 0.9315
446 FGZ 0.9315
447 R8A 0.9314
448 7WV 0.9314
449 3IT 0.9313
450 JZ3 0.9311
451 7MU 0.9309
452 2A9 0.9308
453 24B 0.9308
454 OVM 0.9308
455 HMU 0.9307
456 MO8 0.9306
457 G3E 0.9306
458 NIO 0.9304
459 OTW 0.9303
460 3BZ 0.9302
461 BHO 0.9301
462 JFJ 0.9301
463 ZZT 0.9300
464 NK 0.9300
465 8H8 0.9300
466 Y8I 0.9299
467 CTS 0.9298
468 F9Y 0.9295
469 GCU 0.9295
470 TEP 0.9293
471 PRZ 0.9292
472 DFB 0.9292
473 3MB 0.9291
474 BRT 0.9291
475 FUC 0.9290
476 MFB 0.9289
477 1WG 0.9289
478 4XS 0.9288
479 GTR 0.9287
480 IHB 0.9286
481 0MK 0.9285
482 8ZE 0.9285
483 PFB 0.9285
484 LT2 0.9284
485 GIF 0.9283
486 PZA 0.9283
487 ASC 0.9282
488 AS3 0.9282
489 5RN 0.9280
490 6LW 0.9278
491 PXM 0.9277
492 DFU 0.9277
493 EXO 0.9277
494 F31 0.9277
495 CFI 0.9276
496 BDF 0.9275
497 FUF 0.9275
498 RNS 0.9271
499 LSA 0.9270
500 HHA 0.9270
501 XHP 0.9269
502 RSO 0.9268
503 QX4 0.9268
504 RM4 0.9267
505 15L 0.9267
506 0N7 0.9267
507 IF7 0.9266
508 TBP 0.9265
509 ISD 0.9264
510 NPO 0.9264
511 QSH 0.9263
512 8NY 0.9263
513 KJY 0.9262
514 JA8 0.9260
515 NTN 0.9260
516 FCB 0.9257
517 B53 0.9255
518 5QY 0.9254
519 XYS 0.9253
520 ARB 0.9252
521 ZXD 0.9251
522 DRL 0.9251
523 MBG 0.9250
524 AZF 0.9250
525 OXQ 0.9250
526 GBD 0.9250
527 4AA 0.9250
528 FBM 0.9249
529 7ME 0.9248
530 QWN 0.9247
531 R2B 0.9245
532 XUL 0.9245
533 AGK 0.9245
534 GCB 0.9245
535 SRT 0.9242
536 J9Q 0.9242
537 DQU 0.9241
538 3XX 0.9241
539 DBX 0.9240
540 3R6 0.9239
541 SE2 0.9238
542 7WR 0.9237
543 JFD 0.9236
544 2AK 0.9236
545 FAN 0.9235
546 150 0.9234
547 NDM 0.9234
548 RIB 0.9233
549 AMC 0.9233
550 UNU 0.9233
551 BMA 0.9232
552 5GU 0.9231
553 ICO 0.9231
554 DHS 0.9230
555 KJU 0.9230
556 DNF 0.9229
557 UAN 0.9229
558 QWW 0.9228
559 5RO 0.9227
560 OAA 0.9227
561 OW4 0.9225
562 3RK 0.9225
563 J5I 0.9224
564 2CQ 0.9224
565 286 0.9222
566 6ME 0.9219
567 E7Z 0.9218
568 XLS 0.9215
569 VK3 0.9215
570 ADA 0.9215
571 BCU 0.9215
572 GAG 0.9215
573 HIS 0.9215
574 173 0.9215
575 4JO 0.9214
576 MAN 0.9213
577 NQ 0.9213
578 VGL 0.9213
579 FPI 0.9210
580 M1Q 0.9208
581 FEH 0.9207
582 X09 0.9206
583 97T 0.9206
584 4FH 0.9206
585 ZB1 0.9205
586 2MN 0.9205
587 LKA 0.9205
588 MQN 0.9204
589 URQ 0.9204
590 44W 0.9203
591 39A 0.9202
592 YSO 0.9202
593 0R0 0.9202
594 QX2 0.9201
595 LRH 0.9200
596 ABE 0.9200
597 209 0.9200
598 H33 0.9200
599 DEE 0.9199
600 GRE 0.9199
601 TLD 0.9199
602 RXA 0.9198
603 64K 0.9197
604 12B 0.9197
605 2XX 0.9196
606 D48 0.9196
607 DQA 0.9194
608 B60 0.9194
609 5WY 0.9194
610 7ZE 0.9193
611 PHB 0.9193
612 NSP 0.9192
613 AC0 0.9192
614 LDP 0.9192
615 3DM 0.9191
616 EKZ 0.9191
617 7VJ 0.9191
618 BE7 0.9191
619 5AC 0.9190
620 MVN 0.9190
621 4P5 0.9188
622 HIO 0.9187
623 A29 0.9187
624 INS 0.9187
625 7D2 0.9185
626 R9Y 0.9184
627 A13 0.9183
628 282 0.9182
629 6M1 0.9182
630 44V 0.9181
631 329 0.9181
632 ISE 0.9181
633 ZZ3 0.9181
634 PEA 0.9181
635 HY1 0.9180
636 1P3 0.9178
637 HBA 0.9175
638 IFP 0.9174
639 2DR 0.9174
640 ZWZ 0.9173
641 2ZV 0.9173
642 8WO 0.9173
643 VNJ 0.9172
644 I1E 0.9172
645 GJS 0.9172
646 X05 0.9170
647 6F0 0.9170
648 FA1 0.9169
649 NTZ 0.9168
650 FA3 0.9167
651 FCA 0.9167
652 R9S 0.9167
653 45C 0.9167
654 3AL 0.9166
655 7N0 0.9166
656 QAT 0.9166
657 PYQ 0.9166
658 GM7 0.9162
659 C2A 0.9161
660 Z6J 0.9161
661 JXN 0.9161
662 F81 0.9160
663 DIU 0.9160
664 QXW 0.9159
665 QSC 0.9158
666 4JQ 0.9158
667 EYK 0.9157
668 F9P 0.9157
669 BK9 0.9157
670 AEH 0.9157
671 AJV 0.9156
672 TAR 0.9155
673 EOL 0.9155
674 JUG 0.9154
675 8W9 0.9154
676 1MR 0.9152
677 51R 0.9152
678 EMZ 0.9152
679 TPA 0.9152
680 0TU 0.9151
681 JTH 0.9151
682 GOX 0.9150
683 XYL 0.9149
684 RB5 0.9149
685 2ZQ 0.9149
686 4YO 0.9149
687 HBX 0.9149
688 QIC 0.9147
689 SS1 0.9147
690 NTM 0.9146
691 9KT 0.9146
692 TTY 0.9145
693 RAM 0.9144
694 VXX 0.9144
695 KYD 0.9142
696 CXF 0.9140
697 UEG 0.9139
698 F4Z 0.9138
699 SYN 0.9137
700 NGO 0.9136
701 AX3 0.9136
702 0HO 0.9132
703 CFF 0.9131
704 KTA 0.9130
705 MAQ 0.9130
706 J9W 0.9130
707 KLW 0.9128
708 IPB 0.9125
709 6UA 0.9125
710 TLA 0.9124
711 PAB 0.9123
712 PYF 0.9122
713 X0V 0.9122
714 SRO 0.9121
715 47J 0.9121
716 PHT 0.9120
717 II6 0.9120
718 H7Y 0.9119
719 N2I 0.9118
720 PBC 0.9117
721 GLY PRO 0.9115
722 QPR 0.9114
723 QY9 0.9112
724 0TR 0.9109
725 IUR 0.9109
726 AH8 0.9107
727 PHU 0.9107
728 ENL 0.9104
729 Z5P 0.9104
730 D07 0.9104
731 60P 0.9103
732 2ZX 0.9103
733 0HN 0.9102
734 3NY 0.9102
735 TC7 0.9101
736 1LN 0.9101
737 PYG 0.9101
738 3SK 0.9099
739 H8N 0.9099
740 GZ8 0.9098
741 HQJ 0.9098
742 MLT 0.9098
743 KDV 0.9096
744 ABN 0.9096
745 13X 0.9095
746 SVD 0.9095
747 4Z4 0.9094
748 1Y6 0.9094
749 LFR 0.9093
750 TZE 0.9091
751 F12 0.9091
752 HBD 0.9091
753 TWO 0.9091
754 FRU 0.9088
755 37T 0.9088
756 QOS 0.9088
757 G1O 0.9085
758 M2K 0.9084
759 4VP 0.9084
760 MT5 0.9083
761 IDH 0.9083
762 HY3 0.9081
763 LNR 0.9079
764 PCA 0.9079
765 9PY 0.9078
766 HFB 0.9078
767 MS9 0.9076
768 95Z 0.9075
769 5AN 0.9075
770 RCO 0.9075
771 LMR 0.9074
772 AX2 0.9074
773 PRY 0.9073
774 JZ4 0.9073
775 6NT 0.9073
776 YQA 0.9072
777 KIB 0.9072
778 3AY 0.9071
779 PY7 0.9071
780 XX3 0.9069
781 9FL 0.9068
782 1U6 0.9065
783 BR8 0.9064
784 URA 0.9064
785 4FA 0.9063
786 680 0.9061
787 IPZ 0.9061
788 5NI 0.9060
789 ESI 0.9059
790 3SL 0.9056
791 CN0 0.9056
792 463 0.9055
793 TOF 0.9055
794 AC6 0.9054
795 UGC 0.9054
796 3FH 0.9054
797 52C 0.9053
798 INE 0.9053
799 LG3 0.9053
800 WDL 0.9052
801 DPZ 0.9052
802 ABI 0.9051
803 4MA 0.9050
804 7B3 0.9050
805 K3Q 0.9049
806 BZ2 0.9049
807 7CZ 0.9048
808 PAC 0.9046
809 OA3 0.9046
810 CRS 0.9046
811 GT0 0.9045
812 3MC 0.9045
813 FBA 0.9043
814 826 0.9043
815 2ZM 0.9043
816 SF9 0.9042
817 PDC 0.9042
818 2FY 0.9040
819 Z82 0.9040
820 1F1 0.9039
821 MSN 0.9039
822 GXY 0.9038
823 OVP 0.9038
824 0JD 0.9038
825 2TQ 0.9038
826 NBE 0.9038
827 BCF 0.9038
828 PBZ 0.9038
829 K5W 0.9038
830 0F9 0.9038
831 5ZE 0.9037
832 NID 0.9037
833 GTL 0.9035
834 AIN 0.9034
835 J1Z 0.9034
836 1AL 0.9031
837 4TU 0.9030
838 SPV 0.9029
839 FBV 0.9029
840 FHN 0.9029
841 QAS 0.9029
842 CLZ 0.9029
843 3FA 0.9029
844 8OZ 0.9028
845 L99 0.9027
846 MXN 0.9027
847 M4T 0.9027
848 3CH 0.9026
849 AMG 0.9025
850 KBB 0.9025
851 0FN 0.9025
852 ERH 0.9025
853 UFO 0.9024
854 R1X 0.9024
855 ASN 0.9022
856 MBD 0.9021
857 LG5 0.9021
858 B2J 0.9019
859 GJZ 0.9019
860 UFV 0.9018
861 ARA 0.9017
862 284 0.9017
863 HNQ 0.9017
864 2HU 0.9017
865 KDF 0.9016
866 M58 0.9016
867 BBF 0.9016
868 26D 0.9016
869 SYA 0.9015
870 CYT 0.9015
871 9R5 0.9015
872 0W1 0.9014
873 ESP 0.9014
874 3A9 0.9012
875 HA5 0.9011
876 2FQ 0.9009
877 GCO 0.9009
878 ICB 0.9008
879 ICF 0.9007
880 MRZ 0.9007
881 42J 0.9005
882 FLM 0.9004
883 39O 0.9004
884 4WL 0.9003
885 LI6 0.9003
886 H76 0.9002
887 DIG 0.9002
888 SMN 0.9000
889 XCZ 0.9000
890 SW7 0.9000
891 OK7 0.8999
892 NVU 0.8997
893 174 0.8997
894 23J 0.8997
895 TSS 0.8996
896 DUB 0.8994
897 ZBT 0.8991
898 N2Z 0.8990
899 PH2 0.8990
900 J6W 0.8990
901 EDR 0.8989
902 BVF 0.8989
903 RUU 0.8988
904 6VD 0.8988
905 GV9 0.8988
906 E7S 0.8985
907 293 0.8984
908 K32 0.8984
909 CWJ 0.8983
910 PRF 0.8983
911 15N 0.8983
912 RAT 0.8981
913 6MH 0.8981
914 14J 0.8981
915 0LH 0.8980
916 4P0 0.8979
917 2MY 0.8979
918 IBF 0.8979
919 ONR 0.8978
920 GZL 0.8978
921 51F 0.8977
922 6FZ 0.8977
923 2CM 0.8977
924 2GS 0.8976
925 K22 0.8974
926 DYA 0.8973
927 RMN 0.8972
928 RPQ 0.8971
929 XBT 0.8971
930 2C9 0.8971
931 WOT 0.8970
932 L5V 0.8970
933 HHR 0.8970
934 BNS 0.8969
935 B5D 0.8967
936 PEL 0.8966
937 9RW 0.8965
938 JZ1 0.8964
939 M2H 0.8964
940 PQ0 0.8964
941 ODO 0.8963
942 YRL 0.8963
943 K34 0.8961
944 280 0.8960
945 FFP 0.8960
946 2PG 0.8960
947 4SX 0.8959
948 9FE 0.8957
949 SR1 0.8957
950 PAF 0.8955
951 92P 0.8955
952 6NI 0.8955
953 8NX 0.8954
954 4ZA 0.8954
955 C2B 0.8952
956 HDH 0.8951
957 P72 0.8950
958 DQN 0.8950
959 2LY 0.8950
960 KTW 0.8950
961 8GF 0.8950
962 GMN 0.8949
963 IP0 0.8946
964 5CL 0.8945
965 3CE 0.8944
966 GVG 0.8942
967 FBU 0.8941
968 9CL 0.8941
969 JAW 0.8941
970 TGX 0.8939
971 4H2 0.8937
972 6XI 0.8936
973 I1N 0.8936
974 TFU 0.8935
975 K17 0.8933
976 AUD 0.8933
977 ZZ8 0.8932
978 FB1 0.8930
979 RHU 0.8930
980 CGB 0.8929
981 HXX 0.8929
982 TM4 0.8929
983 3ZQ 0.8929
984 JYB 0.8927
985 GTZ 0.8926
986 M3T 0.8926
987 HYP 0.8925
988 PBA 0.8924
989 4JL 0.8923
990 F3B 0.8923
991 23W 0.8923
992 KIA 0.8922
993 IT2 0.8921
994 APY 0.8919
995 FBT 0.8918
996 CIG 0.8918
997 HA7 0.8917
998 PKU 0.8915
999 DZX 0.8914
1000 B3R 0.8914
1001 H3M 0.8913
1002 C2Y 0.8913
1003 SS2 0.8912
1004 1KP 0.8912
1005 Q71 0.8912
1006 NEQ 0.8911
1007 LDU 0.8910
1008 FBW 0.8910
1009 4JU 0.8909
1010 268 0.8908
1011 TIU 0.8908
1012 DNC 0.8907
1013 DUC 0.8907
1014 HTP 0.8906
1015 HGQ 0.8906
1016 2MH 0.8906
1017 EJZ 0.8905
1018 M6W 0.8904
1019 AJY 0.8904
1020 PBE 0.8903
1021 258 0.8902
1022 RUY 0.8901
1023 1IT 0.8900
1024 9CA 0.8900
1025 GOO 0.8899
1026 FPK 0.8899
1027 QMP 0.8899
1028 XSP 0.8898
1029 20J 0.8897
1030 PYJ 0.8897
1031 0FK 0.8895
1032 HPY 0.8894
1033 ASP 0.8894
1034 DHR 0.8892
1035 94W 0.8892
1036 TCZ 0.8891
1037 HEW 0.8891
1038 YHO 0.8890
1039 ITN 0.8889
1040 8XQ 0.8889
1041 ZYR 0.8889
1042 271 0.8888
1043 PEP 0.8888
1044 DS0 0.8888
1045 9ZE 0.8888
1046 8HC 0.8888
1047 MJ2 0.8888
1048 FDR 0.8887
1049 JDN 0.8885
1050 KPL 0.8885
1051 OHP 0.8885
1052 PEY 0.8884
1053 RD4 0.8883
1054 B24 0.8883
1055 4AV 0.8883
1056 JG8 0.8883
1057 I6G 0.8881
1058 PRO 0.8881
1059 HKD 0.8880
1060 XXP 0.8880
1061 4VY 0.8879
1062 285 0.8879
1063 N3W 0.8879
1064 N7P 0.8878
1065 DAS 0.8877
1066 PCI 0.8877
1067 M5N 0.8876
1068 URS 0.8876
1069 MFU 0.8875
1070 M3H 0.8875
1071 AEF 0.8875
1072 EXD 0.8874
1073 E1T 0.8874
1074 PIY 0.8871
1075 ZVO 0.8870
1076 PLQ 0.8870
1077 2F6 0.8870
1078 GYP 0.8869
1079 15E 0.8869
1080 N8P 0.8868
1081 JB8 0.8867
1082 DTL 0.8867
1083 PX7 0.8864
1084 GIM 0.8863
1085 PIM 0.8862
1086 LG4 0.8862
1087 7WG 0.8861
1088 PCR 0.8858
1089 4PW 0.8857
1090 PD2 0.8856
1091 FOA 0.8856
1092 BNF 0.8855
1093 1X7 0.8853
1094 TBS 0.8851
1095 4TE 0.8851
1096 TEO 0.8850
1097 FCR 0.8850
1098 P84 0.8848
1099 C9E 0.8848
1100 AY4 0.8848
1101 HQE 0.8848
1102 PSV 0.8847
1103 N7I 0.8847
1104 MA3 0.8846
1105 PYC 0.8846
1106 GCW 0.8845
1107 1XX 0.8845
1108 32O 0.8845
1109 FQI 0.8845
1110 4JM 0.8844
1111 CIZ 0.8841
1112 9X7 0.8840
1113 MMA 0.8839
1114 A65 0.8839
1115 V6F 0.8838
1116 ECE 0.8838
1117 NK2 0.8837
1118 CAQ 0.8834
1119 1XA 0.8833
1120 2HC 0.8833
1121 CBF 0.8833
1122 JZ5 0.8833
1123 HHQ 0.8831
1124 DA1 0.8830
1125 XXG 0.8829
1126 1DV 0.8829
1127 CEE 0.8828
1128 PHH 0.8828
1129 BML 0.8828
1130 GOG 0.8826
1131 FPN 0.8824
1132 OXE 0.8824
1133 E5X 0.8823
1134 6JN 0.8822
1135 DE5 0.8821
1136 091 0.8821
1137 FB2 0.8821
1138 PMB 0.8820
1139 GLL 0.8820
1140 X0W 0.8820
1141 KYA 0.8819
1142 6TZ 0.8819
1143 TT4 0.8817
1144 1U1 0.8814
1145 AAS 0.8814
1146 ZZZ 0.8811
1147 25R 0.8810
1148 XRG 0.8809
1149 PXY 0.8809
1150 FLC 0.8808
1151 YTB 0.8808
1152 C21 0.8808
1153 E35 0.8807
1154 APG 0.8804
1155 SEJ 0.8804
1156 URP 0.8802
1157 GCV 0.8802
1158 PZM 0.8802
1159 428 0.8801
1160 40O 0.8800
1161 94N 0.8799
1162 PQK 0.8797
1163 TP5 0.8797
1164 ORN 0.8794
1165 3MH 0.8794
1166 AKG 0.8794
1167 6R8 0.8793
1168 L89 0.8793
1169 8G0 0.8792
1170 KFH 0.8792
1171 TRA 0.8791
1172 H6B 0.8790
1173 HSE 0.8789
1174 DHY 0.8788
1175 ICC 0.8785
1176 4HS 0.8785
1177 4CH 0.8784
1178 MVL 0.8782
1179 28N 0.8780
1180 FBG 0.8779
1181 2PC 0.8778
1182 1DU 0.8776
1183 9TY 0.8774
1184 NCT 0.8773
1185 260 0.8773
1186 39U 0.8772
1187 SLS 0.8770
1188 ESX 0.8769
1189 NCD 0.8768
1190 MAK 0.8766
1191 BPU 0.8766
1192 TZC 0.8766
1193 4BZ 0.8766
1194 BNT 0.8765
1195 ARW 0.8764
1196 92Z 0.8763
1197 TYL 0.8761
1198 MZB 0.8761
1199 3HP 0.8760
1200 JKZ 0.8760
1201 JR2 0.8758
1202 BEW 0.8758
1203 265 0.8758
1204 PNZ 0.8758
1205 OTR 0.8757
1206 FUD 0.8756
1207 6HQ 0.8754
1208 AEZ 0.8753
1209 GLU 0.8752
1210 8LG 0.8752
1211 KIV 0.8752
1212 6OT 0.8751
1213 HLD 0.8751
1214 SMV 0.8749
1215 BPN 0.8748
1216 K8X 0.8748
1217 PHE 0.8745
1218 TSU 0.8743
1219 7I2 0.8739
1220 JZ0 0.8739
1221 Q7A 0.8739
1222 4JN 0.8738
1223 SAN 0.8738
1224 4NM 0.8737
1225 M1Z 0.8734
1226 FP2 0.8733
1227 12T 0.8732
1228 1AN 0.8731
1229 JBN 0.8731
1230 HSM 0.8730
1231 57O 0.8729
1232 3BU 0.8728
1233 4A5 0.8728
1234 ANN 0.8727
1235 SFU 0.8726
1236 2AF 0.8726
1237 PFL 0.8725
1238 T9G 0.8724
1239 IAC 0.8724
1240 2CZ 0.8723
1241 JAB 0.8723
1242 7MX 0.8723
1243 EN1 0.8722
1244 FA6 0.8720
1245 G12 0.8720
1246 PRA 0.8719
1247 FLV 0.8719
1248 76X 0.8717
1249 GLY CYS 0.8715
1250 93Q 0.8711
1251 9YL 0.8710
1252 1A7 0.8709
1253 69O 0.8708
1254 2CL 0.8708
1255 MHK 0.8707
1256 UY7 0.8706
1257 UNJ 0.8706
1258 226 0.8705
1259 4RU 0.8699
1260 IUP 0.8699
1261 H62 0.8697
1262 NAG 0.8695
1263 CH9 0.8694
1264 LT8 0.8693
1265 6DP 0.8693
1266 SF6 0.8693
1267 2CH 0.8693
1268 M4E 0.8692
1269 X8D 0.8692
1270 SIF 0.8691
1271 IOL 0.8691
1272 273 0.8691
1273 CIT 0.8690
1274 3C1 0.8690
1275 36E 0.8690
1276 9KH 0.8687
1277 CRN 0.8685
1278 2O6 0.8685
1279 5NE 0.8684
1280 938 0.8684
1281 MAE 0.8678
1282 SLC 0.8676
1283 GOJ 0.8676
1284 NBG 0.8674
1285 HBO 0.8670
1286 O2A 0.8667
1287 259 0.8665
1288 O7U 0.8664
1289 30G 0.8664
1290 MQB 0.8663
1291 L7T 0.8662
1292 HTS 0.8659
1293 R20 0.8658
1294 KGK 0.8658
1295 ROI 0.8657
1296 VAL 0.8655
1297 06B 0.8654
1298 4BY 0.8654
1299 LDR 0.8654
1300 GJP 0.8652
1301 FBS 0.8652
1302 K37 0.8651
1303 SN4 0.8649
1304 JU2 0.8647
1305 CPZ 0.8645
1306 KTJ 0.8645
1307 HDL 0.8643
1308 3C2 0.8640
1309 1DQ 0.8640
1310 61M 0.8639
1311 8GK 0.8638
1312 MSR 0.8637
1313 0GZ 0.8635
1314 6X8 0.8632
1315 3R9 0.8631
1316 4KL 0.8630
1317 QBS 0.8630
1318 6BL 0.8626
1319 PBR 0.8625
1320 FLA 0.8619
1321 4BL 0.8619
1322 QSB 0.8618
1323 CXL 0.8618
1324 5LA 0.8618
1325 OHG 0.8616
1326 278 0.8615
1327 YAN 0.8615
1328 449 0.8614
1329 CIY 0.8612
1330 DX3 0.8611
1331 4J8 0.8610
1332 3ZB 0.8609
1333 OGA 0.8609
1334 4XX 0.8609
1335 JXZ 0.8609
1336 HHS 0.8608
1337 XQK 0.8607
1338 9AP 0.8607
1339 0XT 0.8605
1340 2K8 0.8605
1341 HAI 0.8604
1342 JXW 0.8603
1343 JF6 0.8602
1344 K6X 0.8601
1345 JF2 0.8595
1346 0V5 0.8592
1347 EGR 0.8592
1348 OTD 0.8591
1349 67X 0.8589
1350 CYH 0.8587
1351 27B 0.8583
1352 V1L 0.8578
1353 J9N 0.8577
1354 V1T 0.8573
1355 IWT 0.8573
1356 GF4 0.8572
1357 F4E 0.8572
1358 SNU 0.8572
1359 8XL 0.8572
1360 PJW 0.8571
1361 MAJ 0.8560
1362 GNM 0.8552
1363 68A 0.8537
1364 1WC 0.8520
1365 KMT 0.8520
1366 HC4 0.8520
1367 TMT 0.8516
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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