Receptor
PDB id Resolution Class Description Source Keywords
5AQO 2.12 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
GOL B:1263;
C:1384;
C:1389;
B:1261;
C:1385;
F:1261;
B:1262;
A:1383;
E:1383;
C:1383;
F:1262;
E:1384;
D:1261;
C:1386;
C:1387;
C:1382;
C:1390;
C:1388;
E:1382;
B:1264;
A:1382;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TRS E:1386;
A:1385;
C:1392;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
DMS A:1386;
E:1387;
C:1393;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
CL E:1388;
A:1387;
C:1394;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
CWS A:1384;
C:1391;
E:1385;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
159.188 C9 H9 N3 Cc1cc...
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: CWS; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CWS 1 1
2 N8Y 0.520833 0.787879
3 2QV 0.413793 0.806452
4 1LQ 0.413043 0.961538
Similar Ligands (3D)
Ligand no: 1; Ligand: CWS; Similar ligands found: 1190
No: Ligand Similarity coefficient
1 KUF 1.0000
2 0P6 0.9998
3 8CM 0.9986
4 1P7 0.9840
5 KT7 0.9837
6 GCS 0.9832
7 2HQ 0.9826
8 3Z8 0.9826
9 2D0 0.9818
10 G3F 0.9801
11 APZ 0.9789
12 BGC 0.9781
13 86J 0.9778
14 8S0 0.9774
15 OCH 0.9762
16 JB5 0.9761
17 COU 0.9757
18 0FO 0.9751
19 5B1 0.9749
20 OTW 0.9749
21 ES5 0.9748
22 2AQ 0.9744
23 XHP 0.9742
24 03V 0.9741
25 GTQ 0.9737
26 Q88 0.9734
27 CWM 0.9734
28 4FS 0.9729
29 1LM 0.9726
30 DQU 0.9724
31 DIN 0.9724
32 MRW 0.9719
33 5RG 0.9719
34 A7W 0.9717
35 1NP 0.9715
36 1SQ 0.9711
37 4YS 0.9705
38 5IQ 0.9704
39 24W 0.9702
40 44W 0.9696
41 5SG 0.9695
42 B60 0.9695
43 ES0 0.9693
44 JBH 0.9693
45 JPZ 0.9690
46 ES1 0.9690
47 H42 0.9690
48 5Q0 0.9688
49 N5J 0.9688
50 MAQ 0.9687
51 B62 0.9686
52 MVN 0.9685
53 12Q 0.9685
54 54G 0.9681
55 5M0 0.9680
56 O72 0.9678
57 QX4 0.9674
58 GLC 0.9673
59 BEA 0.9672
60 IV2 0.9672
61 8WT 0.9670
62 KJH 0.9664
63 SX1 0.9659
64 HQY 0.9658
65 5MK 0.9652
66 ISN 0.9652
67 6ME 0.9646
68 5QX 0.9644
69 TTL 0.9633
70 M1Q 0.9633
71 RM1 0.9617
72 HH8 0.9615
73 4XH 0.9608
74 HQT 0.9607
75 7W1 0.9597
76 AJV 0.9592
77 6CS 0.9592
78 G3E 0.9592
79 BDP 0.9591
80 R8V 0.9590
81 I3A 0.9588
82 KKN 0.9586
83 5QY 0.9586
84 7HQ 0.9585
85 QBK 0.9584
86 8ZE 0.9576
87 2EC 0.9575
88 DPZ 0.9574
89 ES7 0.9572
90 44V 0.9571
91 3PF 0.9570
92 5WV 0.9569
93 MWP 0.9568
94 MUA 0.9560
95 AZ9 0.9559
96 JAE 0.9555
97 J9T 0.9555
98 URC 0.9554
99 UNC 0.9552
100 4M4 0.9548
101 XAZ 0.9547
102 4JQ 0.9545
103 PH2 0.9544
104 GAL 0.9543
105 5XC 0.9539
106 EA1 0.9539
107 9MG 0.9539
108 PE0 0.9539
109 M6N 0.9537
110 ADZ 0.9531
111 XQ0 0.9530
112 32X 0.9527
113 2FQ 0.9526
114 AZ8 0.9525
115 Q24 0.9523
116 UFO 0.9523
117 SKA 0.9519
118 MQN 0.9518
119 8TX 0.9516
120 J5I 0.9515
121 7B4 0.9514
122 42A 0.9513
123 D48 0.9513
124 PXL 0.9511
125 4HC 0.9509
126 AQO 0.9507
127 5OB 0.9507
128 495 0.9505
129 BTY 0.9503
130 MEW 0.9503
131 0N7 0.9503
132 SYV 0.9500
133 QUZ 0.9500
134 4YO 0.9499
135 NDM 0.9497
136 FOT 0.9497
137 0TU 0.9497
138 0W8 0.9497
139 AJ2 0.9496
140 M5K 0.9495
141 2AK 0.9495
142 BZ3 0.9495
143 J9W 0.9494
144 7W4 0.9493
145 MT0 0.9491
146 14O 0.9490
147 4NC 0.9489
148 9TZ 0.9489
149 FE DB1 0.9487
150 DBH 0.9486
151 SE2 0.9486
152 PRF 0.9486
153 3IT 0.9484
154 N2I 0.9483
155 NPY 0.9482
156 3F0 0.9480
157 5MI 0.9480
158 IJZ 0.9478
159 92K 0.9477
160 JBQ 0.9477
161 HHR 0.9476
162 DHQ 0.9475
163 3HA 0.9473
164 6M9 0.9473
165 ABV 0.9472
166 5H1 0.9472
167 67N 0.9472
168 M1A 0.9471
169 PYQ 0.9471
170 G5V 0.9470
171 BZX 0.9469
172 F60 0.9469
173 TOF 0.9469
174 V55 0.9468
175 VXX 0.9468
176 F0J 0.9466
177 HQD 0.9465
178 LZM 0.9465
179 KDV 0.9464
180 M0W 0.9463
181 KJU 0.9462
182 HLZ 0.9461
183 39O 0.9458
184 5MB 0.9456
185 LT2 0.9455
186 HZQ 0.9454
187 SHG 0.9453
188 LGC 0.9452
189 SVN 0.9449
190 SOR 0.9449
191 7VS 0.9448
192 G6D 0.9448
193 M0Q 0.9445
194 0FK 0.9443
195 E7Z 0.9441
196 3M0 0.9441
197 GDE 0.9441
198 B55 0.9440
199 15L 0.9439
200 1XN 0.9439
201 ES9 0.9438
202 4JT 0.9438
203 4MU 0.9436
204 DOB 0.9435
205 XX2 0.9432
206 3WA 0.9432
207 FK1 0.9431
208 2K4 0.9430
209 25W 0.9430
210 3ID 0.9429
211 6AI 0.9428
212 ZYR 0.9428
213 GCU 0.9427
214 11S 0.9426
215 8W9 0.9426
216 4M0 0.9423
217 SXS 0.9421
218 INO 0.9420
219 75K 0.9419
220 5RO 0.9419
221 LKA 0.9418
222 R9Y 0.9418
223 MYJ 0.9416
224 FDB 0.9416
225 AJY 0.9416
226 PZI 0.9416
227 H4N 0.9413
228 DHB 0.9413
229 4Z4 0.9412
230 2BG 0.9412
231 CTL 0.9412
232 8HC 0.9410
233 2HO 0.9410
234 HPA 0.9409
235 FBB 0.9408
236 UAN 0.9406
237 4A3 0.9406
238 HJP 0.9406
239 FHB 0.9405
240 NNO 0.9405
241 DNF 0.9405
242 B57 0.9404
243 ISZ 0.9403
244 F05 0.9403
245 0RW 0.9403
246 BTE 0.9401
247 BHA 0.9401
248 XIY 0.9401
249 BHO 0.9400
250 M1H 0.9400
251 A29 0.9399
252 MR1 0.9399
253 HLR 0.9396
254 SWD 0.9396
255 CLZ 0.9395
256 93K 0.9395
257 5NU 0.9393
258 9EW 0.9391
259 TTY 0.9391
260 FA0 0.9390
261 NIZ 0.9390
262 5JQ 0.9389
263 ADE 0.9386
264 TH7 0.9386
265 4ME 0.9386
266 EQT 0.9385
267 6MP 0.9384
268 9R5 0.9384
269 VNL 0.9383
270 JLZ 0.9379
271 2MI 0.9378
272 3HM 0.9378
273 K2T 0.9378
274 36R 0.9376
275 CFI 0.9374
276 DHK 0.9373
277 BP1 0.9372
278 VGD 0.9369
279 5JL 0.9368
280 1DW 0.9365
281 CLW 0.9364
282 Q6T 0.9363
283 DMD 0.9363
284 NOJ 0.9363
285 8IG 0.9361
286 DBJ 0.9360
287 2H5 0.9359
288 5CU 0.9358
289 P9P 0.9357
290 AX7 0.9357
291 RXA 0.9356
292 5RN 0.9356
293 7VJ 0.9356
294 SAL 0.9355
295 CFF 0.9355
296 F9Y 0.9354
297 GM7 0.9353
298 92P 0.9352
299 2LY 0.9351
300 10L 0.9350
301 XM0 0.9350
302 QAT 0.9349
303 270 0.9348
304 ICO 0.9347
305 ES2 0.9346
306 1P8 0.9345
307 1M2 0.9343
308 9TW 0.9343
309 PQ0 0.9341
310 SHA 0.9340
311 5GU 0.9340
312 JUG 0.9340
313 HMH 0.9340
314 CHB 0.9339
315 GJS 0.9337
316 6M4 0.9337
317 9HX 0.9335
318 GZ8 0.9335
319 4AA 0.9335
320 CFP 0.9334
321 9FL 0.9334
322 3R6 0.9333
323 9DA 0.9332
324 JND 0.9332
325 8NY 0.9331
326 15E 0.9331
327 EVA 0.9331
328 97T 0.9330
329 ET2 0.9327
330 DBX 0.9327
331 7WA 0.9325
332 MO8 0.9323
333 JA8 0.9321
334 I1E 0.9321
335 2AL 0.9321
336 SRO 0.9320
337 7HP 0.9318
338 5WX 0.9318
339 9DG 0.9317
340 C2U 0.9316
341 XAN 0.9316
342 AZA 0.9315
343 ORO 0.9313
344 ESI 0.9313
345 3Z7 0.9312
346 DRL 0.9312
347 Q71 0.9311
348 0JD 0.9310
349 C2Y 0.9309
350 9KT 0.9309
351 SWA 0.9309
352 IGA 0.9308
353 J9Q 0.9307
354 SKM 0.9306
355 BE2 0.9304
356 GUN 0.9304
357 GXY 0.9303
358 LDP 0.9303
359 NQ 0.9302
360 OXC 0.9297
361 BCU 0.9297
362 2CK 0.9296
363 42C 0.9292
364 TGX 0.9290
365 DIU 0.9290
366 JBE 0.9290
367 EYK 0.9289
368 GVG 0.9288
369 20J 0.9287
370 NDH 0.9286
371 FDR 0.9284
372 5VM 0.9283
373 QWN 0.9283
374 SOE 0.9283
375 94W 0.9282
376 28N 0.9282
377 5HN 0.9281
378 PM6 0.9281
379 B5D 0.9281
380 4CS 0.9281
381 JXN 0.9280
382 VK3 0.9279
383 37T 0.9277
384 3AB 0.9277
385 3U4 0.9275
386 7NI 0.9275
387 XXR 0.9275
388 7ZE 0.9274
389 QAS 0.9274
390 173 0.9274
391 KTW 0.9273
392 8GC 0.9273
393 ES6 0.9272
394 1WG 0.9268
395 209 0.9268
396 53C 0.9268
397 AKH 0.9266
398 680 0.9266
399 ES4 0.9265
400 TEP 0.9265
401 5WY 0.9264
402 DEE 0.9263
403 GTR 0.9263
404 1PT 0.9263
405 JG8 0.9260
406 3NY 0.9260
407 F5B 0.9259
408 FYU 0.9259
409 FLV 0.9259
410 A2F 0.9258
411 3HB 0.9258
412 226 0.9257
413 JTH 0.9257
414 ZVO 0.9256
415 G1O 0.9255
416 INE 0.9253
417 34D 0.9251
418 1IT 0.9251
419 HHA 0.9250
420 HKD 0.9249
421 7MU 0.9247
422 7B3 0.9247
423 9CA 0.9246
424 F31 0.9245
425 2CQ 0.9242
426 0HN 0.9241
427 TPA 0.9241
428 JYB 0.9240
429 39A 0.9240
430 GYE 0.9240
431 XQG 0.9239
432 4SV 0.9239
433 I6G 0.9239
434 141 0.9239
435 FGZ 0.9237
436 EUG 0.9237
437 XYP 0.9236
438 0HO 0.9234
439 1XM 0.9234
440 HA5 0.9233
441 PEY 0.9233
442 9FE 0.9233
443 6NT 0.9232
444 KJY 0.9232
445 AHR 0.9231
446 AW5 0.9228
447 3NT 0.9228
448 E1T 0.9228
449 GCB 0.9225
450 GAB 0.9223
451 LXC 0.9223
452 YH7 0.9222
453 6AP 0.9222
454 B53 0.9222
455 6RQ 0.9220
456 8WO 0.9220
457 GZL 0.9220
458 H33 0.9217
459 290 0.9217
460 GRE 0.9217
461 QXW 0.9215
462 2ZQ 0.9214
463 PFB 0.9213
464 Q77 0.9213
465 GLA 0.9212
466 4XV 0.9211
467 IHB 0.9208
468 HH5 0.9208
469 BOA 0.9207
470 ODO 0.9207
471 F12 0.9205
472 15N 0.9204
473 2K8 0.9204
474 OVV 0.9203
475 LI6 0.9202
476 EJZ 0.9201
477 6VD 0.9200
478 EXO 0.9200
479 3DO 0.9199
480 1KP 0.9197
481 CWJ 0.9196
482 KBB 0.9196
483 WOO 0.9196
484 MS9 0.9195
485 DX4 0.9195
486 HX3 0.9194
487 NID 0.9193
488 069 0.9193
489 6M1 0.9193
490 Q7A 0.9191
491 YSO 0.9191
492 D07 0.9189
493 FBM 0.9184
494 8OZ 0.9184
495 JFJ 0.9182
496 TWO 0.9180
497 149 0.9179
498 HIS 0.9179
499 OVM 0.9178
500 F9P 0.9177
501 4XR 0.9177
502 2ZM 0.9175
503 C9E 0.9175
504 GIV 0.9174
505 QPR 0.9173
506 82I 0.9173
507 150 0.9172
508 WCE 0.9172
509 OA3 0.9172
510 LSA 0.9169
511 DOR 0.9169
512 3MG 0.9168
513 3MB 0.9167
514 3A9 0.9167
515 9ZE 0.9166
516 6F0 0.9165
517 AZG 0.9162
518 BCP 0.9161
519 ABI 0.9160
520 7WR 0.9160
521 0CU 0.9160
522 D1X 0.9160
523 GIO 0.9160
524 NPO 0.9158
525 FUL 0.9158
526 3BZ 0.9156
527 HDH 0.9155
528 ALL 0.9155
529 G2F 0.9153
530 4ZC 0.9152
531 261 0.9152
532 M2K 0.9151
533 JKE 0.9150
534 NTZ 0.9150
535 PHU 0.9149
536 DEN 0.9149
537 M4T 0.9148
538 BSX 0.9148
539 1A7 0.9148
540 PHB 0.9148
541 TSS 0.9147
542 EV0 0.9146
543 NMJ 0.9146
544 5NI 0.9145
545 1F1 0.9143
546 FP1 0.9141
547 M1E 0.9139
548 EN1 0.9139
549 2HU 0.9137
550 6NI 0.9137
551 ASO 0.9137
552 52C 0.9136
553 ISE 0.9135
554 23A 0.9134
555 0XT 0.9133
556 Z5P 0.9132
557 QSH 0.9131
558 KOJ 0.9129
559 7WV 0.9128
560 V1T 0.9127
561 8H8 0.9127
562 NCA 0.9127
563 HHS 0.9126
564 AC0 0.9125
565 BRT 0.9124
566 RAM 0.9123
567 4XS 0.9121
568 6PC 0.9121
569 12B 0.9120
570 MCT 0.9120
571 1WD 0.9118
572 0W1 0.9118
573 EOL 0.9114
574 BEZ 0.9114
575 4P5 0.9114
576 BK9 0.9113
577 4HM 0.9113
578 X0V 0.9112
579 45C 0.9109
580 0F9 0.9109
581 2FY 0.9108
582 JBK 0.9106
583 2FG 0.9106
584 BEN 0.9105
585 1GN 0.9105
586 NIO 0.9104
587 PBA 0.9104
588 SLS 0.9103
589 MAN 0.9103
590 23J 0.9102
591 NBZ 0.9101
592 H7Y 0.9100
593 45L 0.9100
594 CTS 0.9100
595 4KL 0.9099
596 717 0.9099
597 MWM 0.9098
598 BPU 0.9097
599 OAA 0.9097
600 CH9 0.9097
601 4ZE 0.9094
602 FAN 0.9092
603 BAM 0.9092
604 30G 0.9092
605 2A9 0.9090
606 HBD 0.9090
607 YQA 0.9087
608 IND 0.9087
609 LNR 0.9086
610 MZG 0.9086
611 PAB 0.9085
612 2YU 0.9082
613 ESP 0.9081
614 PXM 0.9081
615 3FH 0.9081
616 IPB 0.9080
617 EKZ 0.9080
618 2ZV 0.9078
619 ZZZ 0.9077
620 HNQ 0.9077
621 4HO 0.9077
622 6BL 0.9076
623 VOH 0.9076
624 IFP 0.9073
625 NVU 0.9073
626 NSP 0.9073
627 YCP 0.9073
628 KBG 0.9070
629 F4Z 0.9070
630 ADK 0.9069
631 1QP 0.9068
632 4TU 0.9068
633 4JP 0.9068
634 X8D 0.9067
635 4CL 0.9067
636 2AC 0.9066
637 L5V 0.9066
638 OW4 0.9066
639 SS1 0.9066
640 PHH 0.9065
641 BZ2 0.9065
642 PZA 0.9064
643 5NE 0.9063
644 NK 0.9062
645 1Y6 0.9062
646 PBC 0.9062
647 URF 0.9061
648 4JJ 0.9060
649 OMD 0.9060
650 TC7 0.9059
651 MWJ 0.9059
652 7MX 0.9058
653 XBZ 0.9057
654 TH0 0.9057
655 HQJ 0.9057
656 BZF 0.9057
657 S76 0.9057
658 DX3 0.9056
659 BMA 0.9056
660 ZZT 0.9056
661 BZI 0.9055
662 RMN 0.9055
663 UNU 0.9054
664 1MC 0.9052
665 JZ2 0.9050
666 5JC 0.9050
667 0FN 0.9050
668 7ME 0.9049
669 XYD 0.9047
670 DGJ 0.9047
671 MBG 0.9046
672 INS 0.9042
673 27Y 0.9041
674 LZ1 0.9041
675 34A 0.9040
676 ZZ8 0.9039
677 8NX 0.9039
678 A1U 0.9036
679 24B 0.9035
680 PBZ 0.9034
681 AC6 0.9034
682 PHT 0.9033
683 L3Q 0.9032
684 2MP 0.9032
685 2A7 0.9031
686 ASC 0.9031
687 JF2 0.9031
688 GOX 0.9031
689 G12 0.9029
690 KIB 0.9028
691 KIA 0.9028
692 3DM 0.9028
693 GLT 0.9027
694 TM7 0.9026
695 43M 0.9026
696 VGL 0.9024
697 JDN 0.9024
698 IDM 0.9023
699 TT4 0.9023
700 TDR 0.9022
701 K3Q 0.9021
702 IFL 0.9020
703 N7I 0.9020
704 3RK 0.9020
705 WBU 0.9019
706 MPI 0.9018
707 PDC 0.9018
708 AX3 0.9017
709 NTN 0.9016
710 BR9 0.9015
711 M58 0.9014
712 E35 0.9014
713 JB8 0.9014
714 8XQ 0.9014
715 DNC 0.9012
716 2KA 0.9012
717 826 0.9012
718 1U6 0.9012
719 L99 0.9010
720 PYD 0.9010
721 ROI 0.9010
722 5MH 0.9008
723 GLY PRO 0.9006
724 HT4 0.9003
725 PRZ 0.9003
726 GV9 0.9002
727 JF1 0.9002
728 E5X 0.9002
729 DHR 0.9001
730 X05 0.9000
731 4RU 0.9000
732 GVH 0.9000
733 4MA 0.8999
734 XXP 0.8999
735 FBT 0.8998
736 E7S 0.8998
737 GAF 0.8997
738 A13 0.8996
739 6GU 0.8996
740 P3K 0.8996
741 YIO 0.8995
742 ICP 0.8994
743 JU2 0.8993
744 JIF 0.8992
745 HMU 0.8992
746 0R1 0.8991
747 ESX 0.8990
748 344 0.8988
749 IWT 0.8987
750 JXW 0.8987
751 JZ3 0.8986
752 GCO 0.8986
753 12T 0.8983
754 4SX 0.8982
755 XYS 0.8982
756 GXL 0.8981
757 NTM 0.8977
758 DE5 0.8977
759 ZWZ 0.8977
760 ADA 0.8977
761 7CZ 0.8977
762 QX2 0.8976
763 GJP 0.8975
764 R8S 0.8975
765 0CT 0.8974
766 3QV 0.8974
767 NOY 0.8973
768 MLT 0.8972
769 P72 0.8970
770 4WL 0.8970
771 1P3 0.8970
772 4FA 0.8967
773 FBV 0.8965
774 IAC 0.8965
775 BCF 0.8964
776 2O6 0.8964
777 5CL 0.8963
778 EMZ 0.8960
779 Z82 0.8959
780 QWW 0.8958
781 X6X 0.8958
782 PNZ 0.8958
783 5VL 0.8957
784 6FZ 0.8956
785 K32 0.8956
786 P92 0.8955
787 ICB 0.8954
788 OVP 0.8953
789 UFV 0.8952
790 HFB 0.8952
791 4FH 0.8951
792 J6W 0.8951
793 HBO 0.8950
794 XBT 0.8950
795 BBF 0.8949
796 AEF 0.8949
797 6QF 0.8948
798 1HN 0.8947
799 QSB 0.8947
800 VNJ 0.8947
801 GOJ 0.8946
802 0R0 0.8946
803 H5B 0.8944
804 ONR 0.8942
805 9AP 0.8941
806 18N 0.8941
807 X09 0.8940
808 OTR 0.8939
809 4ZA 0.8938
810 GHM 0.8938
811 06B 0.8938
812 RSF 0.8936
813 TIU 0.8935
814 5UC 0.8933
815 3MA 0.8933
816 Y8I 0.8932
817 PD2 0.8927
818 51R 0.8926
819 FQI 0.8924
820 GNM 0.8924
821 HBA 0.8922
822 B2J 0.8921
823 XYL 0.8920
824 FB1 0.8920
825 ZZ3 0.8919
826 EGR 0.8918
827 0TR 0.8918
828 LDR 0.8917
829 IBF 0.8917
830 AY4 0.8917
831 ANN 0.8916
832 RSO 0.8916
833 2LP 0.8915
834 T6C 0.8915
835 PEA 0.8914
836 FA3 0.8913
837 KLW 0.8912
838 GOG 0.8911
839 QSC 0.8910
840 3OC 0.8910
841 F4E 0.8910
842 QIC 0.8909
843 5TY 0.8908
844 FDK 0.8908
845 KTA 0.8908
846 TYL 0.8907
847 PA1 0.8907
848 K34 0.8905
849 NCT 0.8905
850 EXD 0.8905
851 4VS 0.8904
852 FBW 0.8904
853 DFB 0.8904
854 GBD 0.8902
855 G4D 0.8902
856 14J 0.8901
857 DIE 0.8901
858 F6P 0.8901
859 5WU 0.8900
860 TLD 0.8899
861 TIY 0.8899
862 IT2 0.8899
863 XCZ 0.8898
864 27B 0.8898
865 B56 0.8895
866 KTJ 0.8895
867 PX7 0.8894
868 PIY 0.8891
869 X0W 0.8890
870 DYA 0.8890
871 6TZ 0.8890
872 174 0.8889
873 JP2 0.8888
874 AMG 0.8888
875 61M 0.8885
876 GAG 0.8885
877 KYA 0.8885
878 HA7 0.8885
879 MXN 0.8883
880 8XL 0.8883
881 3XX 0.8882
882 K17 0.8882
883 6R8 0.8881
884 2F6 0.8881
885 I1N 0.8881
886 OK7 0.8880
887 4V2 0.8880
888 PIM 0.8880
889 PHE 0.8879
890 N0Z 0.8878
891 329 0.8878
892 APS 0.8878
893 IF7 0.8877
894 7I2 0.8877
895 KYD 0.8877
896 CN0 0.8876
897 4JO 0.8876
898 DQN 0.8876
899 YRL 0.8875
900 42J 0.8874
901 OHP 0.8874
902 PAC 0.8872
903 K22 0.8870
904 BPY 0.8870
905 091 0.8868
906 FBU 0.8867
907 3SK 0.8867
908 4VY 0.8867
909 7MH 0.8865
910 JAW 0.8864
911 DMJ 0.8864
912 1XA 0.8864
913 RIP 0.8864
914 GO8 0.8863
915 M1Z 0.8862
916 6KT 0.8862
917 5NS 0.8862
918 AN3 0.8861
919 GOO 0.8860
920 OXQ 0.8859
921 JFD 0.8858
922 L22 0.8857
923 FH2 0.8856
924 GT0 0.8856
925 ARP 0.8855
926 F2W 0.8854
927 8G0 0.8852
928 PCI 0.8851
929 F81 0.8851
930 68A 0.8850
931 JZ9 0.8850
932 SVD 0.8848
933 APG 0.8847
934 PJW 0.8846
935 RJY 0.8845
936 TBS 0.8845
937 MVL 0.8845
938 K6X 0.8841
939 H4E 0.8840
940 NAG 0.8840
941 0MK 0.8839
942 F1A 0.8836
943 AFR 0.8836
944 MSR 0.8836
945 35C 0.8835
946 ZBT 0.8835
947 FUC 0.8834
948 CXF 0.8834
949 FHC 0.8833
950 57O 0.8833
951 AEH 0.8831
952 95Z 0.8830
953 FRU 0.8828
954 LCN 0.8827
955 428 0.8827
956 QBM 0.8827
957 DHY 0.8827
958 ARB 0.8827
959 M5N 0.8825
960 9PY 0.8824
961 12M 0.8824
962 M3H 0.8820
963 SRT 0.8820
964 ANC 0.8819
965 3J8 0.8815
966 FUD 0.8813
967 RPQ 0.8813
968 RM4 0.8812
969 PKU 0.8811
970 64C 0.8810
971 F3B 0.8809
972 JR2 0.8809
973 AIN 0.8807
974 UEG 0.8806
975 1AL 0.8806
976 HXX 0.8805
977 4VP 0.8805
978 SW7 0.8803
979 LAO 0.8802
980 BZJ 0.8801
981 LYL 0.8800
982 9RW 0.8799
983 IUR 0.8792
984 HTP 0.8791
985 GCW 0.8790
986 MFB 0.8788
987 0LH 0.8787
988 NGO 0.8787
989 FSW 0.8787
990 SYA 0.8786
991 3SL 0.8785
992 SMN 0.8784
993 OW7 0.8783
994 1X7 0.8782
995 LMR 0.8780
996 MHK 0.8780
997 293 0.8779
998 60P 0.8777
999 DFU 0.8777
1000 UNJ 0.8772
1001 AAS 0.8771
1002 MZB 0.8764
1003 LZ2 0.8762
1004 JXZ 0.8762
1005 ZXD 0.8761
1006 3TJ 0.8761
1007 2HC 0.8760
1008 IFM 0.8759
1009 MB1 0.8758
1010 FK8 0.8757
1011 TBP 0.8756
1012 Q02 0.8756
1013 2SX 0.8756
1014 AZF 0.8756
1015 BNT 0.8755
1016 RNS 0.8754
1017 MAJ 0.8753
1018 MT5 0.8752
1019 8GK 0.8751
1020 SAN 0.8751
1021 DRG 0.8750
1022 6E8 0.8750
1023 FBG 0.8749
1024 FB2 0.8748
1025 AA 0.8747
1026 4JM 0.8746
1027 RHU 0.8745
1028 H8N 0.8745
1029 FCB 0.8742
1030 RAT 0.8741
1031 PQK 0.8741
1032 CIY 0.8737
1033 TSR 0.8734
1034 0BP 0.8734
1035 SG2 0.8733
1036 ANF 0.8732
1037 HIO 0.8729
1038 RIB 0.8729
1039 4BL 0.8729
1040 GTL 0.8728
1041 2MN 0.8727
1042 6X9 0.8727
1043 CK2 0.8723
1044 FCR 0.8723
1045 ZME 0.8723
1046 TFU 0.8722
1047 FA1 0.8722
1048 E3D 0.8721
1049 CCV 0.8721
1050 BSP 0.8720
1051 2PG 0.8720
1052 SNU 0.8719
1053 4AN 0.8719
1054 GIM 0.8719
1055 HY3 0.8719
1056 AEZ 0.8717
1057 PMB 0.8717
1058 SYR 0.8715
1059 FPY 0.8715
1060 RUY 0.8714
1061 6OT 0.8713
1062 BDF 0.8713
1063 JKZ 0.8712
1064 NBG 0.8712
1065 DHS 0.8711
1066 FCA 0.8710
1067 7VP 0.8710
1068 MNM 0.8710
1069 KFH 0.8706
1070 259 0.8705
1071 SJ5 0.8705
1072 CPZ 0.8705
1073 4NM 0.8702
1074 NLA 0.8701
1075 GCV 0.8701
1076 A09 0.8700
1077 MT8 0.8700
1078 TSU 0.8699
1079 R20 0.8699
1080 NHG 0.8698
1081 GF4 0.8698
1082 2GS 0.8696
1083 A65 0.8695
1084 537 0.8694
1085 TAR 0.8694
1086 6LW 0.8693
1087 K5W 0.8693
1088 K37 0.8693
1089 7D2 0.8691
1090 4P0 0.8691
1091 BNF 0.8691
1092 H62 0.8691
1093 1WC 0.8691
1094 XDE 0.8687
1095 ALE 0.8686
1096 286 0.8685
1097 M5H 0.8683
1098 XXG 0.8683
1099 8MO 0.8682
1100 1Z6 0.8680
1101 1L5 0.8680
1102 M6Z 0.8679
1103 DA4 0.8677
1104 4BY 0.8676
1105 X0U 0.8675
1106 GO2 0.8671
1107 O2A 0.8671
1108 MSN 0.8671
1109 3AL 0.8670
1110 36E 0.8670
1111 QMP 0.8670
1112 PRY 0.8670
1113 HX4 0.8670
1114 1DV 0.8670
1115 J9N 0.8666
1116 3ZB 0.8664
1117 RB5 0.8664
1118 DPT 0.8664
1119 K8X 0.8664
1120 FHN 0.8663
1121 GTZ 0.8663
1122 DNA 0.8662
1123 CKA 0.8661
1124 TAG 0.8660
1125 N1E 0.8660
1126 3C1 0.8660
1127 IDH 0.8660
1128 MIG 0.8658
1129 PPY 0.8658
1130 7N0 0.8653
1131 HBX 0.8652
1132 J1Z 0.8652
1133 OXZ 0.8651
1134 FF2 0.8650
1135 4V6 0.8650
1136 MFU 0.8647
1137 P7Y 0.8646
1138 DQA 0.8644
1139 2JK 0.8643
1140 PYG 0.8643
1141 SF9 0.8641
1142 SYN 0.8640
1143 R2P 0.8635
1144 XX3 0.8635
1145 PYF 0.8632
1146 FUF 0.8632
1147 MPV 0.8632
1148 ABE 0.8630
1149 BNL 0.8630
1150 GJZ 0.8629
1151 5LA 0.8629
1152 HCI 0.8625
1153 BPN 0.8624
1154 SR1 0.8622
1155 4J8 0.8621
1156 3C2 0.8620
1157 PCA 0.8619
1158 FBS 0.8615
1159 I3E 0.8615
1160 PY7 0.8613
1161 IOS 0.8613
1162 505 0.8610
1163 QY9 0.8610
1164 EVF 0.8610
1165 4A5 0.8610
1166 275 0.8609
1167 GIF 0.8609
1168 282 0.8606
1169 XQK 0.8603
1170 FA6 0.8600
1171 SFU 0.8600
1172 HLD 0.8595
1173 7MK 0.8593
1174 IPZ 0.8590
1175 MBD 0.8585
1176 4NO 0.8580
1177 HSO 0.8580
1178 3FA 0.8580
1179 AL0 0.8579
1180 WOT 0.8570
1181 3CE 0.8568
1182 2C9 0.8565
1183 GMN 0.8565
1184 R6T 0.8564
1185 2CM 0.8559
1186 D3G 0.8549
1187 FFP 0.8528
1188 6XI 0.8522
1189 3QM 0.8520
1190 FLM 0.8520
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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